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

C27H23F3N6O — CID 166079150

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

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-pyridin-4-ylphenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166079150) has the molecular formula C27H23F3N6O and a molecular weight of 504.52 g/mol. Its IUPAC name is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-pyridin-4-ylphenyl]-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]-5-pyridin-4-ylphenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166079150
• Molecular Formula: C27H23F3N6O
• Molecular Weight: 504.52 g/mol
• Exact Mass: 504.19
• IUPAC Name: 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-pyridin-4-ylphenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: Cn1cnnc1[C@@H](c1cc(-c2ccncc2)cc(-n2cc3c(C(F)(F)F)cccn3c2=O)c1)C1CCC1
• InChI: InChI=1S/C27H23F3N6O/c1-34-16-32-33-25(34)24(18-4-2-5-18)20-12-19(17-7-9-31-10-8-17)13-21(14-20)36-15-23-22(27(28,29)30)6-3-11-35(23)26(36)37/h3,6-16,18,24H,2,4-5H2,1H3/t24-/m1/s1
• InChIKey: MIRVKWUIVFTLMN-XMMPIXPASA-N
• XLogP: 5.23
• TPSA: 70.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.52
LogP ≤ 5	5.23
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]-5-pyridin-4-ylphenyl]-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]-5-pyridin-4-ylphenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166079150) is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-pyridin-4-ylphenyl]-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]-5-pyridin-4-ylphenyl]-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]-5-pyridin-4-ylphenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is Cn1cnnc1[C@@H](c1cc(-c2ccncc2)cc(-n2cc3c(C(F)(F)F)cccn3c2=O)c1)C1CCC1.

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

The InChIKey is MIRVKWUIVFTLMN-XMMPIXPASA-N. The full InChI is InChI=1S/C27H23F3N6O/c1-34-16-32-33-25(34)24(18-4-2-5-18)20-12-19(17-7-9-31-10-8-17)13-21(14-20)36-15-23-22(27(28,29)30)6-3-11-35(23)26(36)37/h3,6-16,18,24H,2,4-5H2,1H3/t24-/m1/s1.

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

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-5-pyridin-4-ylphenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 504.52 g/mol, XLogP of 5.23, 5 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]-5-pyridin-4-ylphenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166079150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).