[4-[(4-benzyloxyphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone

CovInDB Inhibitor

CI003476

Name

[4-[(4-benzyloxyphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone

Molecular Formula

C₂₃H₂₆N₄O₂

Molecular Weight

390.21 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

[4-[(4-benzyloxyphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone

InChI

InChI=1S/C23H26N4O2/c1-19-15-24-27(16-19)23(28)26-13-11-25(12-14-26)17-20-7-9-22(10-8-20)29-18-21-5-3-2-4-6-21/h2-10,15-16H,11-14,17-18H2,1H3

InChI Key

IWTMREHDGHVQRU-UHFFFAOYSA-N

Canonical SMILES

Cc1cnn(C(=O)N2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

390.21 g/mol

Computed by RDKit

logP

3.43

Computed by ALOGPS

logS

-4.1

Computed by ALOGPS

Heavy Atom Count

29

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

5

Computed by RDKit

Hydrogen Bond Donor Count

0

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

50.6 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.