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Molecule
Pazopanib Hydrochloride
CAS: 635702-64-6 · C21H24ClN7O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 635702-64-6
- Molecular Formula
- C21H24ClN7O2S
- Molecular Mass
- 473.99 g/mol
Identifiers
CAS Registry Number
635702-64-6
SMILES
Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O.Cl
InChI Key
MQHIQUBXFFAOMK-UHFFFAOYSA-N
InChI
InChI=1S/C21H23N7O2S.ClH/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16;/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25);1H
Names and Synonyms
- Pazopanib Hydrochloride Common Name
- Benzenesulfonamide, 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-, hydrochloride (1:1) Synonym
- Benzenesulfonamide, 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-, monohydrochloride Synonym
- Pazopanib hydrochloride Synonym
- GW 786034B Synonym
- 5-[[4-[(2,3-Dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 473.99 g/mol | CAS Common Chemistry |
| 473.9900000000002 g/mol | RDKit | |
| 474.988 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=S(=O)(N)C1=CC(=CC=C1C)NC2=NC=CC(=N2)N(C=3C=CC=4C(=NN(C4C)C)C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H23N7O2S.ClH/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16;/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25);1H | CAS Common Chemistry |
| InChI Key | InChIKey=MQHIQUBXFFAOMK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pazopanib hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| 7 | RDKit | |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 119.03 Ų | RDKit |
| LogP | 3.560840000000001 | RDKit |
| 3.5608 | RDKit | |
| Molar Refractivity | 128.62890000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1905 | RDKit |
| Exact Mass | 473.14007168800003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 473.99 g/mol. Edit any field — others recompute live.
