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

C30H35F3N6O — CID 166079106

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

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166079106) has the molecular formula C30H35F3N6O and a molecular weight of 552.65 g/mol. Its IUPAC name is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166079106
• Molecular Formula: C30H35F3N6O
• Molecular Weight: 552.65 g/mol
• Exact Mass: 552.28
• IUPAC Name: 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: C[C@H]1CCCN([C@@H](C)c2cc(C(F)(F)F)c3cn(-c4cccc([C@H](c5nncn5C)C5CCC5)c4)c(=O)n3c2)C1
• InChI: InChI=1S/C30H35F3N6O/c1-19-7-6-12-37(15-19)20(2)23-14-25(30(31,32)33)26-17-38(29(40)39(26)16-23)24-11-5-10-22(13-24)27(21-8-4-9-21)28-35-34-18-36(28)3/h5,10-11,13-14,16-21,27H,4,6-9,12,15H2,1-3H3/t19-,20-,27+/m0/s1
• InChIKey: DXRRSLXDNNPVDD-OWOAZTCBSA-N
• XLogP: 5.96
• TPSA: 60.36 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.65
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166079106) is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

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

The canonical SMILES for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is C[C@H]1CCCN([C@@H](C)c2cc(C(F)(F)F)c3cn(-c4cccc([C@H](c5nncn5C)C5CCC5)c4)c(=O)n3c2)C1.

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

The InChIKey is DXRRSLXDNNPVDD-OWOAZTCBSA-N. The full InChI is InChI=1S/C30H35F3N6O/c1-19-7-6-12-37(15-19)20(2)23-14-25(30(31,32)33)26-17-38(29(40)39(26)16-23)24-11-5-10-22(13-24)27(21-8-4-9-21)28-35-34-18-36(28)3/h5,10-11,13-14,16-21,27H,4,6-9,12,15H2,1-3H3/t19-,20-,27+/m0/s1.

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

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 552.65 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166079106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).