Pazopanib

C₂₁H₂₃N₇O₂SCAS 444731-52-6437.52 g/mol

Open in Covalent MOL file

Secondary amine Sulfonamide Tertiary amine

Properties

Molecular formula: C₂₁H₂₃N₇O₂S
Molar mass: 437.52 g/mol
Exact mass: 437.1634 Da
logP: 3.14Crippen estimate
Polar surface area: 119.0 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H360FD May damage fertility; May damage the unborn child25% of notifiers
H361 Suspected of damaging fertility or the unborn child25% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure25% of notifiers
H411 Toxic to aquatic life with long lasting effects25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

444731-52-6

SMILES

Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O

InChIKey

CUIHSIWYWATEQL-UHFFFAOYSA-N

InChI

InChI=1S/C21H23N7O2S/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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Benzenesulfonamide, 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-
5-[[4-[(2,3-Dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide
5-[[4-[(2,3-Dimethyl-2H-indazol-6-yl)(methyl)amino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
GW 786034
Votrient
AE 941

Work with Pazopanib

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pazopanib hydrochloride635702-64-6Salt

Similar compounds

N-(2-Chloro-4-pyrimidinyl)-N,2,3-trimethyl-2H-indazol-6-amine444731-75-355 % similar 2,3-Dimethyl-2H-indazol-6-amine444731-72-033 % similar N-(2-Chloro-4-pyrimidinyl)-2,3-dimethyl-2H-indazol-6-amine444731-74-233 % similar 2,3-Dimethyl-2H-indazol-6-amine hydrochloride635702-60-232 % similar 2,3-Dimethyl-6-nitro-2H-indazole444731-73-130 % similar 5-Amino-2-methylbenzenesulfonamide6973-09-730 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook