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

C28H30F4N6O — CID 166079147

About 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(1R)-1-[(3S)-3-fluoropyrrolidin-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-[(1R)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166079147) has the molecular formula C28H30F4N6O and a molecular weight of 542.58 g/mol. Its IUPAC name is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(1R)-1-[(3S)-3-fluoropyrrolidin-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-[(1R)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166079147
• Molecular Formula: C28H30F4N6O
• Molecular Weight: 542.58 g/mol
• Exact Mass: 542.24
• IUPAC Name: 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(1R)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: C[C@H](c1cc(C(F)(F)F)c2cn(-c3cccc([C@H](c4nncn4C)C4CCC4)c3)c(=O)n2c1)N1CC[C@H](F)C1
• InChI: InChI=1S/C28H30F4N6O/c1-17(36-10-9-21(29)14-36)20-12-23(28(30,31)32)24-15-37(27(39)38(24)13-20)22-8-4-7-19(11-22)25(18-5-3-6-18)26-34-33-16-35(26)2/h4,7-8,11-13,15-18,21,25H,3,5-6,9-10,14H2,1-2H3/t17-,21+,25-/m1/s1
• InChIKey: SXGJDKWDXTTWHU-FTGWLVSGSA-N
• XLogP: 5.27
• TPSA: 60.36 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.58
LogP ≤ 5	5.27
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-[(1R)-1-[(3S)-3-fluoropyrrolidin-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-[(1R)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166079147) is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(1R)-1-[(3S)-3-fluoropyrrolidin-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-[(1R)-1-[(3S)-3-fluoropyrrolidin-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-[(1R)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is C[C@H](c1cc(C(F)(F)F)c2cn(-c3cccc([C@H](c4nncn4C)C4CCC4)c3)c(=O)n2c1)N1CC[C@H](F)C1.

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

The InChIKey is SXGJDKWDXTTWHU-FTGWLVSGSA-N. The full InChI is InChI=1S/C28H30F4N6O/c1-17(36-10-9-21(29)14-36)20-12-23(28(30,31)32)24-15-37(27(39)38(24)13-20)22-8-4-7-19(11-22)25(18-5-3-6-18)26-34-33-16-35(26)2/h4,7-8,11-13,15-18,21,25H,3,5-6,9-10,14H2,1-2H3/t17-,21+,25-/m1/s1.

What are the key properties of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(1R)-1-[(3S)-3-fluoropyrrolidin-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-[(1R)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 542.58 g/mol, XLogP of 5.27, 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-[(1R)-1-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166079147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).