2-(4-phenoxyphenyl)-7-[4-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

CovInDB Inhibitor

CI004655

Name

2-(4-phenoxyphenyl)-7-[4-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Molecular Formula

C₂₈H₂₅N₅O₃

Molecular Weight

479.2 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

2-(4-phenoxyphenyl)-7-[4-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

InChI

InChI=1S/C28H25N5O3/c1-2-24(34)31-20-12-8-18(9-13-20)23-16-17-30-28-25(27(29)35)26(32-33(23)28)19-10-14-22(15-11-19)36-21-6-4-3-5-7-21/h2-15,23,30H,1,16-17H2,(H2,29,35)(H,31,34)

InChI Key

LFLSBTRUURZOIY-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

479.2 g/mol

Computed by RDKit

logP

4.34

Computed by ALOGPS

logS

-5.08

Computed by ALOGPS

Heavy Atom Count

36

Computed by RDKit

Ring Count

5

Computed by RDKit

Hydrogen Bond Acceptor Count

6

Computed by RDKit

Hydrogen Bond Donor Count

3

Computed by RDKit

Rotatable Bond Count

7

Computed by RDKit

Topological Polar Surface Area

111.27 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.