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

C27H29F3N6O2 — CID 166079274

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

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[methyl(oxetan-3-yl)amino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166079274) has the molecular formula C27H29F3N6O2 and a molecular weight of 526.56 g/mol. Its IUPAC name is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[methyl(oxetan-3-yl)amino]methyl]-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-[[methyl(oxetan-3-yl)amino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166079274
• Molecular Formula: C27H29F3N6O2
• Molecular Weight: 526.56 g/mol
• Exact Mass: 526.23
• IUPAC Name: 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[methyl(oxetan-3-yl)amino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: CN(Cc1cc(C(F)(F)F)c2cn(-c3cccc([C@H](c4nncn4C)C4CCC4)c3)c(=O)n2c1)C1COC1
• InChI: InChI=1S/C27H29F3N6O2/c1-33(21-14-38-15-21)11-17-9-22(27(28,29)30)23-13-35(26(37)36(23)12-17)20-8-4-7-19(10-20)24(18-5-3-6-18)25-32-31-16-34(25)2/h4,7-10,12-13,16,18,21,24H,3,5-6,11,14-15H2,1-2H3/t24-/m1/s1
• InChIKey: HJHKKZBQVWYINQ-XMMPIXPASA-N
• XLogP: 4.00
• TPSA: 69.59 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.56
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[methyl(oxetan-3-yl)amino]methyl]-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-[[methyl(oxetan-3-yl)amino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166079274) is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[methyl(oxetan-3-yl)amino]methyl]-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-[[methyl(oxetan-3-yl)amino]methyl]-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-[[methyl(oxetan-3-yl)amino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CN(Cc1cc(C(F)(F)F)c2cn(-c3cccc([C@H](c4nncn4C)C4CCC4)c3)c(=O)n2c1)C1COC1.

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

The InChIKey is HJHKKZBQVWYINQ-XMMPIXPASA-N. The full InChI is InChI=1S/C27H29F3N6O2/c1-33(21-14-38-15-21)11-17-9-22(27(28,29)30)23-13-35(26(37)36(23)12-17)20-8-4-7-19(10-20)24(18-5-3-6-18)25-32-31-16-34(25)2/h4,7-10,12-13,16,18,21,24H,3,5-6,11,14-15H2,1-2H3/t24-/m1/s1.

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

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[methyl(oxetan-3-yl)amino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 526.56 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 8 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-[[methyl(oxetan-3-yl)amino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166079274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).