Nvp-bgj398

C₂₆H₃₁Cl₂N₇O₃CAS 872511-34-7560.48 g/mol

Open in Covalent MOL file

Aryl halide Ether Secondary amine Tertiary amine Urea

Properties

Molecular formula: C₂₆H₃₁Cl₂N₇O₃
Molar mass: 560.48 g/mol
Exact mass: 559.1865 Da
logP: 5.35Crippen estimate
Polar surface area: 95.1 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

872511-34-7

SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl

InChIKey

QADPYRIHXKWUSV-UHFFFAOYSA-N

InChI

InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)

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Names and synonyms

1 names

Infigratinib

Work with Nvp-bgj398

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

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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