3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile

C30H38F3N7O — CID 166079665

About 3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile

3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile (PubChem CID 166079665) has the molecular formula C30H38F3N7O and a molecular weight of 569.68 g/mol. Its IUPAC name is 3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile.

Molecular Properties

• Compound Name: 3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile
• PubChem CID: 166079665
• Molecular Formula: C30H38F3N7O
• Molecular Weight: 569.68 g/mol
• Exact Mass: 569.31
• IUPAC Name: 3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile
• SMILES: C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3cn(C4CC(C#N)CC([C@@H](c5nncn5C)C5CCC5)C4)c(=O)n3c2)C1
• InChI: InChI=1S/C30H38F3N7O/c1-19-5-4-8-38(14-19)15-21-11-25(30(31,32)33)26-17-39(29(41)40(26)16-21)24-10-20(13-34)9-23(12-24)27(22-6-3-7-22)28-36-35-18-37(28)2/h11,16-20,22-24,27H,3-10,12,14-15H2,1-2H3/t19-,20?,23?,24?,27-/m0/s1
• InChIKey: TUNYWBHVLNAGFZ-VFUOFINLSA-N
• XLogP: 5.55
• TPSA: 84.15 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.68
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile?

The IUPAC name of 3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile (CID 166079665) is 3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile.

What is the SMILES notation for 3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile?

The canonical SMILES for 3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile is C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3cn(C4CC(C#N)CC([C@@H](c5nncn5C)C5CCC5)C4)c(=O)n3c2)C1.

What is the InChIKey of 3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile?

The InChIKey is TUNYWBHVLNAGFZ-VFUOFINLSA-N. The full InChI is InChI=1S/C30H38F3N7O/c1-19-5-4-8-38(14-19)15-21-11-25(30(31,32)33)26-17-39(29(41)40(26)16-21)24-10-20(13-34)9-23(12-24)27(22-6-3-7-22)28-36-35-18-37(28)2/h11,16-20,22-24,27H,3-10,12,14-15H2,1-2H3/t19-,20?,23?,24?,27-/m0/s1.

What are the key properties of 3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile?

3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile has a molecular weight of 569.68 g/mol, XLogP of 5.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-[6-[[(3S)-3-methylpiperidin-1-yl]methyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-2-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 166079665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).