2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one

C32H36F6N6O — CID 167186849

IUPAC2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one
SMILESCN1CNN(C2CC=CC2)C1[C@@H](c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CC(C(F)(F)F)C4)cn3c2=O)c1)C1CCC1
InChIInChI=1S/C32H36F6N6O/c1-40-19-39-44(24-9-2-3-10-24)29(40)28(21-6-4-7-21)22-8-5-11-25(13-22)42-18-27-26(32(36,37)38)12-20(15-43(27)30(42)45)14-41-16-23(17-41)31(33,34)35/h2-3,5,8,11-13,15,18,21,23-24,28-29,39H,4,6-7,9-10,14,16-17,19H2,1H3/t28-,29?/m1/s1
InChIKeyZZEYRQWEVWKXLN-FICMROCWSA-N
MW634.67 g/mol
LogP5.74
Rot. Bonds7

About 2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one

2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one (PubChem CID 167186849) has the molecular formula C32H36F6N6O and a molecular weight of 634.67 g/mol. Its IUPAC name is 2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one
PubChem CID167186849
Molecular FormulaC32H36F6N6O
Molecular Weight634.67 g/mol
Exact Mass634.29
IUPAC Name2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one
SMILESCN1CNN(C2CC=CC2)C1[C@@H](c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CC(C(F)(F)F)C4)cn3c2=O)c1)C1CCC1
InChIInChI=1S/C32H36F6N6O/c1-40-19-39-44(24-9-2-3-10-24)29(40)28(21-6-4-7-21)22-8-5-11-25(13-22)42-18-27-26(32(36,37)38)12-20(15-43(27)30(42)45)14-41-16-23(17-41)31(33,34)35/h2-3,5,8,11-13,15,18,21,23-24,28-29,39H,4,6-7,9-10,14,16-17,19H2,1H3/t28-,29?/m1/s1
InChIKeyZZEYRQWEVWKXLN-FICMROCWSA-N
XLogP5.74
TPSA48.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.67
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one (CID 167186849) is 2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one is CN1CNN(C2CC=CC2)C1[C@@H](c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CC(C(F)(F)F)C4)cn3c2=O)c1)C1CCC1.
What is the InChIKey of 2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one?
The InChIKey is ZZEYRQWEVWKXLN-FICMROCWSA-N. The full InChI is InChI=1S/C32H36F6N6O/c1-40-19-39-44(24-9-2-3-10-24)29(40)28(21-6-4-7-21)22-8-5-11-25(13-22)42-18-27-26(32(36,37)38)12-20(15-43(27)30(42)45)14-41-16-23(17-41)31(33,34)35/h2-3,5,8,11-13,15,18,21,23-24,28-29,39H,4,6-7,9-10,14,16-17,19H2,1H3/t28-,29?/m1/s1.
What are the key properties of 2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one?
2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one has a molecular weight of 634.67 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(R)-cyclobutyl-(2-cyclopent-3-en-1-yl-4-methyl-1,2,4-triazolidin-3-yl)methyl]phenyl]-8-(trifluoromethyl)-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 167186849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).