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

C30H33F3N6O — CID 166078769

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

2-[3-[2-cyclobutyl-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166078769) has the molecular formula C30H33F3N6O and a molecular weight of 550.63 g/mol. Its IUPAC name is 2-[3-[2-cyclobutyl-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 2-[3-[2-cyclobutyl-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166078769
• Molecular Formula: C30H33F3N6O
• Molecular Weight: 550.63 g/mol
• Exact Mass: 550.27
• IUPAC Name: 2-[3-[2-cyclobutyl-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: CC1=CCCN(Cc2cc(C(F)(F)F)c3cn(-c4cccc(C(CC5CCC5)c5nncn5C)c4)c(=O)n3c2)C1
• InChI: InChI=1S/C30H33F3N6O/c1-20-6-5-11-37(15-20)16-22-13-26(30(31,32)33)27-18-38(29(40)39(27)17-22)24-10-4-9-23(14-24)25(12-21-7-3-8-21)28-35-34-19-36(28)2/h4,6,9-10,13-14,17-19,21,25H,3,5,7-8,11-12,15-16H2,1-2H3
• InChIKey: VVGZXCZIBXKMEZ-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 60.36 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.63
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[3-[2-cyclobutyl-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166078769) is 2-[3-[2-cyclobutyl-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

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

The canonical SMILES for 2-[3-[2-cyclobutyl-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CC1=CCCN(Cc2cc(C(F)(F)F)c3cn(-c4cccc(C(CC5CCC5)c5nncn5C)c4)c(=O)n3c2)C1.

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

The InChIKey is VVGZXCZIBXKMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N6O/c1-20-6-5-11-37(15-20)16-22-13-26(30(31,32)33)27-18-38(29(40)39(27)17-22)24-10-4-9-23(14-24)25(12-21-7-3-8-21)28-35-34-19-36(28)2/h4,6,9-10,13-14,17-19,21,25H,3,5,7-8,11-12,15-16H2,1-2H3.

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

2-[3-[2-cyclobutyl-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 550.63 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-cyclobutyl-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166078769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).