6-[1-[(2R)-2-methylmorpholin-4-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

C28H31F3N6O3 — CID 166079441

About 6-[1-[(2R)-2-methylmorpholin-4-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-[1-[(2R)-2-methylmorpholin-4-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 166079441) has the molecular formula C28H31F3N6O3 and a molecular weight of 556.59 g/mol. Its IUPAC name is 6-[1-[(2R)-2-methylmorpholin-4-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-[1-[(2R)-2-methylmorpholin-4-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: 166079441
• Molecular Formula: C28H31F3N6O3
• Molecular Weight: 556.59 g/mol
• Exact Mass: 556.24
• IUPAC Name: 6-[1-[(2R)-2-methylmorpholin-4-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: CC(c1cc(C(F)(F)F)c2cn(-c3cccc(C4(Cc5nncn5C)COC4)c3)c(=O)n2c1)N1CCO[C@H](C)C1
• InChI: InChI=1S/C28H31F3N6O3/c1-18-12-35(7-8-40-18)19(2)20-9-23(28(29,30)31)24-14-36(26(38)37(24)13-20)22-6-4-5-21(10-22)27(15-39-16-27)11-25-33-32-17-34(25)3/h4-6,9-10,13-14,17-19H,7-8,11-12,15-16H2,1-3H3/t18-,19?/m1/s1
• InChIKey: KCAIEASLBNXHNH-MRTLOADZSA-N
• XLogP: 3.53
• TPSA: 78.82 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.59
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2R)-2-methylmorpholin-4-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-[1-[(2R)-2-methylmorpholin-4-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 166079441) is 6-[1-[(2R)-2-methylmorpholin-4-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-[1-[(2R)-2-methylmorpholin-4-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-[1-[(2R)-2-methylmorpholin-4-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 CC(c1cc(C(F)(F)F)c2cn(-c3cccc(C4(Cc5nncn5C)COC4)c3)c(=O)n2c1)N1CCO[C@H](C)C1.

What is the InChIKey of 6-[1-[(2R)-2-methylmorpholin-4-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 KCAIEASLBNXHNH-MRTLOADZSA-N. The full InChI is InChI=1S/C28H31F3N6O3/c1-18-12-35(7-8-40-18)19(2)20-9-23(28(29,30)31)24-14-36(26(38)37(24)13-20)22-6-4-5-21(10-22)27(15-39-16-27)11-25-33-32-17-34(25)3/h4-6,9-10,13-14,17-19H,7-8,11-12,15-16H2,1-3H3/t18-,19?/m1/s1.

What are the key properties of 6-[1-[(2R)-2-methylmorpholin-4-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-[1-[(2R)-2-methylmorpholin-4-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 556.59 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[(2R)-2-methylmorpholin-4-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 166079441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).