3-(1H-indazol-3-yl)-5-(prop-2-enoylamino)-N-prop-2-ynyl-benzamide

CovInDB Inhibitor

CI006612

Name

3-(1H-indazol-3-yl)-5-(prop-2-enoylamino)-N-prop-2-ynyl-benzamide

Molecular Formula

C₂₀H₁₆N₄O₂

Molecular Weight

344.1273258 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

3-(1H-indazol-3-yl)-5-(prop-2-enoylamino)-N-prop-2-ynyl-benzamide

InChI

InChI=1S/C20H16N4O2/c1-3-9-21-20(26)14-10-13(11-15(12-14)22-18(25)4-2)19-16-7-5-6-8-17(16)23-24-19/h1,4-8,10-12H,2,9H2,(H,21,26)(H,22,25)(H,23,24)

InChI Key

QLVGPPRZJNJOLD-UHFFFAOYSA-N

Canonical SMILES

C#CCNC(=O)c1cc(NC(=O)C=C)cc(-c2n[nH]c3ccccc23)c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

344.1273258 g/mol

Computed by RDKit

logP

2.761

Computed by ALOGPS

logS

-4.696

Computed by ALOGPS

Heavy Atom Count

26

Computed by RDKit

Ring Count

3

Computed by RDKit

Hydrogen Bond Acceptor Count

3

Computed by RDKit

Hydrogen Bond Donor Count

3

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

86.88 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.