WMRIKRYIKCYRKF-UHFFFAOYSA-N

Name: WMRIKRYIKCYRKF-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₂₂ClN₇O₂ — CID 58981134

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(3-methylimidazol-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione

SMILESCn1cncc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12

InChIInChI=1S/C24H22ClN7O2/c1-29-13-26-10-19(29)21-20-22(31(11-14-3-4-14)24(34)30(2)23(20)33)28-32(21)12-15-7-8-27-18-6-5-16(25)9-17(15)18/h5-10,13-14H,3-4,11-12H2,1-2H3

InChIKeyWMRIKRYIKCYRKF-UHFFFAOYSA-N

MW475.94 g/mol

LogP2.96

Rot. Bonds5

About WMRIKRYIKCYRKF-UHFFFAOYSA-N

WMRIKRYIKCYRKF-UHFFFAOYSA-N (PubChem CID 58981134) has the molecular formula C₂₄H₂₂ClN₇O₂ and a molecular weight of 475.94 g/mol. Its IUPAC name is 2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(3-methylimidazol-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name	WMRIKRYIKCYRKF-UHFFFAOYSA-N
PubChem CID	58981134
Molecular Formula	C₂₄H₂₂ClN₇O₂
Molecular Weight	475.94 g/mol
Exact Mass	475.15
IUPAC Name	2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(3-methylimidazol-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILES	Cn1cncc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12
InChI	InChI=1S/C24H22ClN7O2/c1-29-13-26-10-19(29)21-20-22(31(11-14-3-4-14)24(34)30(2)23(20)33)28-32(21)12-15-7-8-27-18-6-5-16(25)9-17(15)18/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKey	WMRIKRYIKCYRKF-UHFFFAOYSA-N
XLogP	2.96
TPSA	92.53 Å²
H-Bond Donors
H-Bond Acceptors	9
Rotatable Bonds	5
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.94
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of WMRIKRYIKCYRKF-UHFFFAOYSA-N?

The IUPAC name of WMRIKRYIKCYRKF-UHFFFAOYSA-N (CID 58981134) is 2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(3-methylimidazol-4-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione.

What is the SMILES notation for WMRIKRYIKCYRKF-UHFFFAOYSA-N?

The canonical SMILES for WMRIKRYIKCYRKF-UHFFFAOYSA-N is Cn1cncc1-c1c2c(=O)n(C)c(=O)n(CC3CC3)c2nn1Cc1ccnc2ccc(Cl)cc12.

What is the InChIKey of WMRIKRYIKCYRKF-UHFFFAOYSA-N?

The InChIKey is WMRIKRYIKCYRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7O2/c1-29-13-26-10-19(29)21-20-22(31(11-14-3-4-14)24(34)30(2)23(20)33)28-32(21)12-15-7-8-27-18-6-5-16(25)9-17(15)18/h5-10,13-14H,3-4,11-12H2,1-2H3.

What are the key properties of WMRIKRYIKCYRKF-UHFFFAOYSA-N?

WMRIKRYIKCYRKF-UHFFFAOYSA-N has a molecular weight of 475.94 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for WMRIKRYIKCYRKF-UHFFFAOYSA-N is sourced from PubChem (CID 58981134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 58981134 — identifiers, structure, computed properties (public domain)

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