CGOKELZXLVVXJK-UHFFFAOYSA-N

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

C₃₁H₂₅ClF₃N₉O₂ — CID 53492494

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

IUPAC1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]pyrazole-5-carboxamide

SMILESCc1cc(C#N)cc(C(=O)NC(C)C)c1NC(=O)c1cc(Cn2cc(-c3ccc(C(F)(F)F)cc3)nn2)nn1-c1ncccc1Cl

InChIInChI=1S/C31H25ClF3N9O2/c1-17(2)38-29(45)23-12-19(14-36)11-18(3)27(23)39-30(46)26-13-22(41-44(26)28-24(32)5-4-10-37-28)15-43-16-25(40-42-43)20-6-8-21(9-7-20)31(33,34)35/h4-13,16-17H,15H2,1-3H3,(H,38,45)(H,39,46)

InChIKeyCGOKELZXLVVXJK-UHFFFAOYSA-N

MW648.05 g/mol

LogP5.82

Rot. Bonds8

About CGOKELZXLVVXJK-UHFFFAOYSA-N

CGOKELZXLVVXJK-UHFFFAOYSA-N (PubChem CID 53492494) has the molecular formula C₃₁H₂₅ClF₃N₉O₂ and a molecular weight of 648.05 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name	CGOKELZXLVVXJK-UHFFFAOYSA-N
PubChem CID	53492494
Molecular Formula	C₃₁H₂₅ClF₃N₉O₂
Molecular Weight	648.05 g/mol
Exact Mass	647.18
IUPAC Name	1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]pyrazole-5-carboxamide
SMILES	Cc1cc(C#N)cc(C(=O)NC(C)C)c1NC(=O)c1cc(Cn2cc(-c3ccc(C(F)(F)F)cc3)nn2)nn1-c1ncccc1Cl
InChI	InChI=1S/C31H25ClF3N9O2/c1-17(2)38-29(45)23-12-19(14-36)11-18(3)27(23)39-30(46)26-13-22(41-44(26)28-24(32)5-4-10-37-28)15-43-16-25(40-42-43)20-6-8-21(9-7-20)31(33,34)35/h4-13,16-17H,15H2,1-3H3,(H,38,45)(H,39,46)
InChIKey	CGOKELZXLVVXJK-UHFFFAOYSA-N
XLogP	5.82
TPSA	143.41 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	8
Heavy Atoms	46
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.05
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of CGOKELZXLVVXJK-UHFFFAOYSA-N (CID 53492494) is 1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-3-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]pyrazole-5-carboxamide.

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

The canonical SMILES for CGOKELZXLVVXJK-UHFFFAOYSA-N is Cc1cc(C#N)cc(C(=O)NC(C)C)c1NC(=O)c1cc(Cn2cc(-c3ccc(C(F)(F)F)cc3)nn2)nn1-c1ncccc1Cl.

What is the InChIKey of CGOKELZXLVVXJK-UHFFFAOYSA-N?

The InChIKey is CGOKELZXLVVXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClF3N9O2/c1-17(2)38-29(45)23-12-19(14-36)11-18(3)27(23)39-30(46)26-13-22(41-44(26)28-24(32)5-4-10-37-28)15-43-16-25(40-42-43)20-6-8-21(9-7-20)31(33,34)35/h4-13,16-17H,15H2,1-3H3,(H,38,45)(H,39,46).

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

CGOKELZXLVVXJK-UHFFFAOYSA-N has a molecular weight of 648.05 g/mol, XLogP of 5.82, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for CGOKELZXLVVXJK-UHFFFAOYSA-N is sourced from PubChem (CID 53492494), 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 53492494 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.