2-[3-[(S)-cyclobutyl-(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C31H41F3N6O — CID 178155566

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

2-[3-[(S)-cyclobutyl-(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 178155566) has the molecular formula C31H41F3N6O and a molecular weight of 570.70 g/mol. Its IUPAC name is 2-[3-[(S)-cyclobutyl-(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 2-[3-[(S)-cyclobutyl-(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 178155566
• Molecular Formula: C31H41F3N6O
• Molecular Weight: 570.70 g/mol
• Exact Mass: 570.33
• IUPAC Name: 2-[3-[(S)-cyclobutyl-(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3cn(C4CCCC([C@@H](c5nncn5C5CC5)C5CCC5)C4)c(=O)n3c2)C1
• InChI: InChI=1S/C31H41F3N6O/c1-20-5-4-12-37(15-20)16-21-13-26(31(32,33)34)27-18-38(30(41)39(27)17-21)25-9-3-8-23(14-25)28(22-6-2-7-22)29-36-35-19-40(29)24-10-11-24/h13,17-20,22-25,28H,2-12,14-16H2,1H3/t20-,23?,25?,28-/m0/s1
• InChIKey: LJBHPESDOPYVBE-SYYCYQNGSA-N
• XLogP: 6.59
• TPSA: 60.36 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.70
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[3-[(S)-cyclobutyl-(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 178155566) is 2-[3-[(S)-cyclobutyl-(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

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

The canonical SMILES for 2-[3-[(S)-cyclobutyl-(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3cn(C4CCCC([C@@H](c5nncn5C5CC5)C5CCC5)C4)c(=O)n3c2)C1.

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

The InChIKey is LJBHPESDOPYVBE-SYYCYQNGSA-N. The full InChI is InChI=1S/C31H41F3N6O/c1-20-5-4-12-37(15-20)16-21-13-26(31(32,33)34)27-18-38(30(41)39(27)17-21)25-9-3-8-23(14-25)28(22-6-2-7-22)29-36-35-19-40(29)24-10-11-24/h13,17-20,22-25,28H,2-12,14-16H2,1H3/t20-,23?,25?,28-/m0/s1.

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

2-[3-[(S)-cyclobutyl-(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 570.70 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(S)-cyclobutyl-(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 178155566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).