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

C30H42F6N6O — CID 178155934

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

2-[3-[cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]-5-(trifluoromethyl)cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 178155934) has the molecular formula C30H42F6N6O and a molecular weight of 616.70 g/mol. Its IUPAC name is 2-[3-[cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]-5-(trifluoromethyl)cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 2-[3-[cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]-5-(trifluoromethyl)cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 178155934
• Molecular Formula: C30H42F6N6O
• Molecular Weight: 616.70 g/mol
• Exact Mass: 616.33
• IUPAC Name: 2-[3-[cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]-5-(trifluoromethyl)cyclohexyl]-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(C4CC(C(C5CCC5)C5NNCN5C)CC(C(F)(F)F)C4)c(=O)n3c2)C1
• InChI: InChI=1S/C30H42F6N6O/c1-18-5-4-8-40(13-18)14-19-9-24(30(34,35)36)25-16-41(28(43)42(25)15-19)23-11-21(10-22(12-23)29(31,32)33)26(20-6-3-7-20)27-38-37-17-39(27)2/h9,15-16,18,20-23,26-27,37-38H,3-8,10-14,17H2,1-2H3/t18-,21?,22?,23?,26?,27?/m0/s1
• InChIKey: OXOXFGSSGONRBA-LHURRXCISA-N
• XLogP: 5.61
• TPSA: 56.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.70
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[3-[cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]-5-(trifluoromethyl)cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 178155934) is 2-[3-[cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]-5-(trifluoromethyl)cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

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

The canonical SMILES for 2-[3-[cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]-5-(trifluoromethyl)cyclohexyl]-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(C4CC(C(C5CCC5)C5NNCN5C)CC(C(F)(F)F)C4)c(=O)n3c2)C1.

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

The InChIKey is OXOXFGSSGONRBA-LHURRXCISA-N. The full InChI is InChI=1S/C30H42F6N6O/c1-18-5-4-8-40(13-18)14-19-9-24(30(34,35)36)25-16-41(28(43)42(25)15-19)23-11-21(10-22(12-23)29(31,32)33)26(20-6-3-7-20)27-38-37-17-39(27)2/h9,15-16,18,20-23,26-27,37-38H,3-8,10-14,17H2,1-2H3/t18-,21?,22?,23?,26?,27?/m0/s1.

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

2-[3-[cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]-5-(trifluoromethyl)cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 616.70 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[cyclobutyl-(4-methyl-1,2,4-triazolidin-3-yl)methyl]-5-(trifluoromethyl)cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 178155934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).