2-[5-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-3-yl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C28H36F3N7O — CID 178155809

About 2-[5-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-3-yl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[5-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-3-yl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 178155809) has the molecular formula C28H36F3N7O and a molecular weight of 543.64 g/mol. Its IUPAC name is 2-[5-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-3-yl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 2-[5-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-3-yl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 178155809
• Molecular Formula: C28H36F3N7O
• Molecular Weight: 543.64 g/mol
• Exact Mass: 543.29
• IUPAC Name: 2-[5-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-3-yl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3cn(C4CN=CC([C@@H](c5nncn5C)C5CCC5)C4)c(=O)n3c2)C1
• InChI: InChI=1S/C28H36F3N7O/c1-18-5-4-8-36(13-18)14-19-9-23(28(29,30)31)24-16-37(27(39)38(24)15-19)22-10-21(11-32-12-22)25(20-6-3-7-20)26-34-33-17-35(26)2/h9,11,15-18,20-22,25H,3-8,10,12-14H2,1-2H3/t18-,21?,22?,25-/m0/s1
• InChIKey: JBHLAEGOSINZQO-VODJVRFHSA-N
• XLogP: 4.70
• TPSA: 72.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.64
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[5-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-3-yl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 178155809) is 2-[5-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-3-yl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

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

The canonical SMILES for 2-[5-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-3-yl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3cn(C4CN=CC([C@@H](c5nncn5C)C5CCC5)C4)c(=O)n3c2)C1.

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

The InChIKey is JBHLAEGOSINZQO-VODJVRFHSA-N. The full InChI is InChI=1S/C28H36F3N7O/c1-18-5-4-8-36(13-18)14-19-9-23(28(29,30)31)24-16-37(27(39)38(24)15-19)22-10-21(11-32-12-22)25(20-6-3-7-20)26-34-33-17-35(26)2/h9,11,15-18,20-22,25H,3-8,10,12-14H2,1-2H3/t18-,21?,22?,25-/m0/s1.

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

2-[5-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-3-yl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 543.64 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(S)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydropyridin-3-yl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 178155809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).