N-[3-[5-methyl-2-[[1-(1-methyl-4-piperidyl)pyrazol-4-yl]amino]-7-oxo-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide

CovInDB Inhibitor

CI003768

Name

N-[3-[5-methyl-2-[[1-(1-methyl-4-piperidyl)pyrazol-4-yl]amino]-7-oxo-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide

Molecular Formula

C₂₆H₂₈N₈O₂

Molecular Weight

484.23 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

N-[3-[5-methyl-2-[[1-(1-methyl-4-piperidyl)pyrazol-4-yl]amino]-7-oxo-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide

InChI

InChI=1S/C26H28N8O2/c1-4-23(35)29-18-6-5-7-21(13-18)34-24(36)12-17(2)22-15-27-26(31-25(22)34)30-19-14-28-33(16-19)20-8-10-32(3)11-9-20/h4-7,12-16,20H,1,8-11H2,2-3H3,(H,29,35)(H,27,30,31)

InChI Key

KHOYQSYTAMJNTQ-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4cnn(C5CCN(C)CC5)c4)nc32)c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

484.23 g/mol

Computed by RDKit

logP

2.62

Computed by ALOGPS

logS

-3.57

Computed by ALOGPS

Heavy Atom Count

36

Computed by RDKit

Ring Count

5

Computed by RDKit

Hydrogen Bond Acceptor Count

9

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

6

Computed by RDKit

Topological Polar Surface Area

109.97 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.