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

C29H37F5N6O — CID 178155704

About 2-[3-[(S)-cyclobutyl-[4-(difluoromethyl)-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-(difluoromethyl)-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 178155704) has the molecular formula C29H37F5N6O and a molecular weight of 580.65 g/mol. Its IUPAC name is 2-[3-[(S)-cyclobutyl-[4-(difluoromethyl)-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-(difluoromethyl)-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: 178155704
• Molecular Formula: C29H37F5N6O
• Molecular Weight: 580.65 g/mol
• Exact Mass: 580.29
• IUPAC Name: 2-[3-[(S)-cyclobutyl-[4-(difluoromethyl)-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](c5nncn5C(F)F)C5CCC5)C4)c(=O)n3c2)C1
• InChI: InChI=1S/C29H37F5N6O/c1-18-5-4-10-37(13-18)14-19-11-23(29(32,33)34)24-16-38(28(41)39(24)15-19)22-9-3-8-21(12-22)25(20-6-2-7-20)26-36-35-17-40(26)27(30)31/h11,15-18,20-22,25,27H,2-10,12-14H2,1H3/t18-,21?,22?,25-/m0/s1
• InChIKey: VXFXYUIHQCNRGP-VODJVRFHSA-N
• XLogP: 6.65
• 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	580.65
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(S)-cyclobutyl-[4-(difluoromethyl)-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-(difluoromethyl)-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 178155704) is 2-[3-[(S)-cyclobutyl-[4-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-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](c5nncn5C(F)F)C5CCC5)C4)c(=O)n3c2)C1.

What is the InChIKey of 2-[3-[(S)-cyclobutyl-[4-(difluoromethyl)-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 VXFXYUIHQCNRGP-VODJVRFHSA-N. The full InChI is InChI=1S/C29H37F5N6O/c1-18-5-4-10-37(13-18)14-19-11-23(29(32,33)34)24-16-38(28(41)39(24)15-19)22-9-3-8-21(12-22)25(20-6-2-7-20)26-36-35-17-40(26)27(30)31/h11,15-18,20-22,25,27H,2-10,12-14H2,1H3/t18-,21?,22?,25-/m0/s1.

What are the key properties of 2-[3-[(S)-cyclobutyl-[4-(difluoromethyl)-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-(difluoromethyl)-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 580.65 g/mol, XLogP of 6.65, 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-(difluoromethyl)-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 178155704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).