GLMHEGVGKZKCHG-COBPUEEMSA-N

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

C₃₂H₃₅F₃N₆O — CID 155324569

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

IUPAC3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile

SMILESCn1cnnc1CC1(c2cccc(N3Cc4c(cc(CNC5CCC(C)(C)C5)cc4C(F)(F)F)C3=O)c2)CC(C#N)C1

InChIInChI=1S/C32H35F3N6O/c1-30(2)8-7-23(14-30)37-17-20-9-25-26(27(10-20)32(33,34)35)18-41(29(25)42)24-6-4-5-22(11-24)31(12-21(13-31)16-36)15-28-39-38-19-40(28)3/h4-6,9-11,19,21,23,37H,7-8,12-15,17-18H2,1-3H3

InChIKeyGLMHEGVGKZKCHG-UHFFFAOYSA-N

MW576.67 g/mol

LogP6.08

Rot. Bonds7

About GLMHEGVGKZKCHG-COBPUEEMSA-N

GLMHEGVGKZKCHG-COBPUEEMSA-N (PubChem CID 155324569) has the molecular formula C₃₂H₃₅F₃N₆O and a molecular weight of 576.67 g/mol. Its IUPAC name is 3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name	GLMHEGVGKZKCHG-COBPUEEMSA-N
PubChem CID	155324569
Molecular Formula	C₃₂H₃₅F₃N₆O
Molecular Weight	576.67 g/mol
Exact Mass	576.28
IUPAC Name	3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile
SMILES	Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CNC5CCC(C)(C)C5)cc4C(F)(F)F)C3=O)c2)CC(C#N)C1
InChI	InChI=1S/C32H35F3N6O/c1-30(2)8-7-23(14-30)37-17-20-9-25-26(27(10-20)32(33,34)35)18-41(29(25)42)24-6-4-5-22(11-24)31(12-21(13-31)16-36)15-28-39-38-19-40(28)3/h4-6,9-11,19,21,23,37H,7-8,12-15,17-18H2,1-3H3
InChIKey	GLMHEGVGKZKCHG-UHFFFAOYSA-N
XLogP	6.08
TPSA	86.84 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.67
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of GLMHEGVGKZKCHG-COBPUEEMSA-N?

The IUPAC name of GLMHEGVGKZKCHG-COBPUEEMSA-N (CID 155324569) is 3-[3-[5-[[(3,3-dimethylcyclopentyl)amino]methyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carbonitrile.

What is the SMILES notation for GLMHEGVGKZKCHG-COBPUEEMSA-N?

The canonical SMILES for GLMHEGVGKZKCHG-COBPUEEMSA-N is Cn1cnnc1CC1(c2cccc(N3Cc4c(cc(CNC5CCC(C)(C)C5)cc4C(F)(F)F)C3=O)c2)CC(C#N)C1.

What is the InChIKey of GLMHEGVGKZKCHG-COBPUEEMSA-N?

The InChIKey is GLMHEGVGKZKCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N6O/c1-30(2)8-7-23(14-30)37-17-20-9-25-26(27(10-20)32(33,34)35)18-41(29(25)42)24-6-4-5-22(11-24)31(12-21(13-31)16-36)15-28-39-38-19-40(28)3/h4-6,9-11,19,21,23,37H,7-8,12-15,17-18H2,1-3H3.

What are the key properties of GLMHEGVGKZKCHG-COBPUEEMSA-N?

GLMHEGVGKZKCHG-COBPUEEMSA-N has a molecular weight of 576.67 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for GLMHEGVGKZKCHG-COBPUEEMSA-N is sourced from PubChem (CID 155324569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155324569 — identifiers, structure, computed properties (public domain)

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