Alk5 inhibitor ii

C₁₇H₁₃N₅CAS 446859-33-2287.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₇H₁₃N₅
Molar mass: 287.33 g/mol
Exact mass: 287.1171 Da
logP: 3.39Crippen estimate
Polar surface area: 67.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

446859-33-2

SMILES

CC1=NC(=CC=C1)C2=C(C=NN2)C3=NC4=C(C=C3)N=CC=C4

InChIKey

LBPKYPYHDKKRFS-UHFFFAOYSA-N

InChI

InChI=1S/C17H13N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-10H,1H3,(H,19,22)

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Names and synonyms

1 names

RepSox

Work with Alk5 inhibitor ii

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

2-Methyl-1,5-naphthyridine7675-32-349 % similar Ly-364947396129-53-643 % similar 6,6'-Bi-2-picoline4411-80-738 % similar 2-Methylquinoxaline7251-61-835 % similar 1H-Pyrazolo(4,3-b)pyridine272-52-634 % similar 1,5-Naphthyridine254-79-532 % similar 2,6-Lutidine108-48-531 % similar 2-Methyl-[1,8]naphthyridine1569-16-030 % similar

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

Elsewhere

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