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

C29H29F3N4OS — CID 167186893

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

2-[3-[cyclobutyl(1,3-thiazol-2-yl)methyl]phenyl]-6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 167186893) has the molecular formula C29H29F3N4OS and a molecular weight of 538.64 g/mol. Its IUPAC name is 2-[3-[cyclobutyl(1,3-thiazol-2-yl)methyl]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-[cyclobutyl(1,3-thiazol-2-yl)methyl]phenyl]-6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 167186893
• Molecular Formula: C29H29F3N4OS
• Molecular Weight: 538.64 g/mol
• Exact Mass: 538.20
• IUPAC Name: 2-[3-[cyclobutyl(1,3-thiazol-2-yl)methyl]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(c5nccs5)C5CCC5)c4)c(=O)n3c2)C1
• InChI: InChI=1S/C29H29F3N4OS/c1-19-5-4-11-34(15-19)16-20-13-24(29(30,31)32)25-18-35(28(37)36(25)17-20)23-9-3-8-22(14-23)26(21-6-2-7-21)27-33-10-12-38-27/h3,5,8-10,12-14,17-18,21,26H,2,4,6-7,11,15-16H2,1H3
• InChIKey: GERXQMVNLJXJMV-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 42.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.64
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclobutyl(1,3-thiazol-2-yl)methyl]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-[cyclobutyl(1,3-thiazol-2-yl)methyl]phenyl]-6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 167186893) is 2-[3-[cyclobutyl(1,3-thiazol-2-yl)methyl]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-[cyclobutyl(1,3-thiazol-2-yl)methyl]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-[cyclobutyl(1,3-thiazol-2-yl)methyl]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(c5nccs5)C5CCC5)c4)c(=O)n3c2)C1.

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

The InChIKey is GERXQMVNLJXJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29F3N4OS/c1-19-5-4-11-34(15-19)16-20-13-24(29(30,31)32)25-18-35(28(37)36(25)17-20)23-9-3-8-22(14-23)26(21-6-2-7-21)27-33-10-12-38-27/h3,5,8-10,12-14,17-18,21,26H,2,4,6-7,11,15-16H2,1H3.

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

2-[3-[cyclobutyl(1,3-thiazol-2-yl)methyl]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 538.64 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[cyclobutyl(1,3-thiazol-2-yl)methyl]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 167186893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).