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

C28H30F4N6O2 — CID 166078826

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

6-[(1S)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-2-[3-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166078826) has the molecular formula C28H30F4N6O2 and a molecular weight of 558.58 g/mol. Its IUPAC name is 6-[(1S)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-2-[3-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 6-[(1S)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-2-[3-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166078826
• Molecular Formula: C28H30F4N6O2
• Molecular Weight: 558.58 g/mol
• Exact Mass: 558.24
• IUPAC Name: 6-[(1S)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-2-[3-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: COC1CC(c2cccc(-n3cc4c(C(F)(F)F)cc([C@H](C)N5CC[C@@H](F)C5)cn4c3=O)c2)(c2nncn2C)C1
• InChI: InChI=1S/C28H30F4N6O2/c1-17(36-8-7-20(29)14-36)18-9-23(28(30,31)32)24-15-37(26(39)38(24)13-18)21-6-4-5-19(10-21)27(11-22(12-27)40-3)25-34-33-16-35(25)2/h4-6,9-10,13,15-17,20,22H,7-8,11-12,14H2,1-3H3/t17-,20+,22?,27?/m0/s1
• InChIKey: NFKGRJFHDWUAAB-IXDQFRCTSA-N
• XLogP: 4.44
• TPSA: 69.59 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.58
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[(1S)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-2-[3-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166078826) is 6-[(1S)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-2-[3-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

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

The canonical SMILES for 6-[(1S)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-2-[3-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is COC1CC(c2cccc(-n3cc4c(C(F)(F)F)cc([C@H](C)N5CC[C@@H](F)C5)cn4c3=O)c2)(c2nncn2C)C1.

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

The InChIKey is NFKGRJFHDWUAAB-IXDQFRCTSA-N. The full InChI is InChI=1S/C28H30F4N6O2/c1-17(36-8-7-20(29)14-36)18-9-23(28(30,31)32)24-15-37(26(39)38(24)13-18)21-6-4-5-19(10-21)27(11-22(12-27)40-3)25-34-33-16-35(25)2/h4-6,9-10,13,15-17,20,22H,7-8,11-12,14H2,1-3H3/t17-,20+,22?,27?/m0/s1.

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

6-[(1S)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-2-[3-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 558.58 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1S)-1-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-2-[3-[3-methoxy-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166078826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).