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

CovInDB Inhibitor

CI004658

Name

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

Molecular Formula

C₂₇H₂₉N₅O₃

Molecular Weight

471.23 g/mol

Structure

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C27H29N5O3/c1-2-23(33)30-21-10-6-5-9-20(21)22-15-16-29-27-24(26(28)34)25(31-32(22)27)17-11-13-19(14-12-17)35-18-7-3-4-8-18/h2,5-6,9-14,18,22,29H,1,3-4,7-8,15-16H2,(H2,28,34)(H,30,33)

InChI Key

GQIUCZODBZCWCR-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(-c3ccc(OC4CCCC4)cc3)nn21

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

471.23 g/mol

Computed by RDKit

logP

4.1

Computed by ALOGPS

logS

-4.85

Computed by ALOGPS

Heavy Atom Count

35

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

No similar compounds in the virtual screening library found for this inhibitor.

No similar natural compounds found for this inhibitor.