6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C28H29F3N6O2 — CID 166078785

About 6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166078785) has the molecular formula C28H29F3N6O2 and a molecular weight of 538.57 g/mol. Its IUPAC name is 6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166078785
• Molecular Formula: C28H29F3N6O2
• Molecular Weight: 538.57 g/mol
• Exact Mass: 538.23
• IUPAC Name: 6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: C[C@H](c1cc(C(F)(F)F)c2cn(-c3cccc(C4(Cc5nncn5C)COC4)c3)c(=O)n2c1)N1CC2CC2C1
• InChI: InChI=1S/C28H29F3N6O2/c1-17(35-10-19-6-20(19)11-35)18-7-23(28(29,30)31)24-13-36(26(38)37(24)12-18)22-5-3-4-21(8-22)27(14-39-15-27)9-25-33-32-16-34(25)2/h3-5,7-8,12-13,16-17,19-20H,6,9-11,14-15H2,1-2H3/t17-,19?,20?/m1/s1
• InChIKey: NZIJZJCHVPOWHW-QHGAOEGBSA-N
• XLogP: 3.76
• TPSA: 69.59 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.57
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The IUPAC name of 6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166078785) is 6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

What is the SMILES notation for 6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The canonical SMILES for 6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is C[C@H](c1cc(C(F)(F)F)c2cn(-c3cccc(C4(Cc5nncn5C)COC4)c3)c(=O)n2c1)N1CC2CC2C1.

What is the InChIKey of 6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The InChIKey is NZIJZJCHVPOWHW-QHGAOEGBSA-N. The full InChI is InChI=1S/C28H29F3N6O2/c1-17(35-10-19-6-20(19)11-35)18-7-23(28(29,30)31)24-13-36(26(38)37(24)12-18)22-5-3-4-21(8-22)27(14-39-15-27)9-25-33-32-16-34(25)2/h3-5,7-8,12-13,16-17,19-20H,6,9-11,14-15H2,1-2H3/t17-,19?,20?/m1/s1.

What are the key properties of 6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 538.57 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1R)-1-(3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166078785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).