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

C30H40F3N5O — CID 166078853

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

2-[3-[(S)-cyclobutyl-(4-methyl-1H-pyrazol-5-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166078853) has the molecular formula C30H40F3N5O and a molecular weight of 543.68 g/mol. Its IUPAC name is 2-[3-[(S)-cyclobutyl-(4-methyl-1H-pyrazol-5-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 2-[3-[(S)-cyclobutyl-(4-methyl-1H-pyrazol-5-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166078853
• Molecular Formula: C30H40F3N5O
• Molecular Weight: 543.68 g/mol
• Exact Mass: 543.32
• IUPAC Name: 2-[3-[(S)-cyclobutyl-(4-methyl-1H-pyrazol-5-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: Cc1cn[nH]c1[C@@H](C1CCC1)C1CCCC(n2cc3c(C(F)(F)F)cc(CN4CCC[C@H](C)C4)cn3c2=O)C1
• InChI: InChI=1S/C30H40F3N5O/c1-19-6-5-11-36(15-19)16-21-12-25(30(31,32)33)26-18-37(29(39)38(26)17-21)24-10-4-9-23(13-24)27(22-7-3-8-22)28-20(2)14-34-35-28/h12,14,17-19,22-24,27H,3-11,13,15-16H2,1-2H3,(H,34,35)/t19-,23?,24?,27-/m0/s1
• InChIKey: UXTIYQGYYFUSQG-QHUVGQRZSA-N
• XLogP: 6.70
• TPSA: 58.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.68
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[(S)-cyclobutyl-(4-methyl-1H-pyrazol-5-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166078853) is 2-[3-[(S)-cyclobutyl-(4-methyl-1H-pyrazol-5-yl)methyl]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-[(S)-cyclobutyl-(4-methyl-1H-pyrazol-5-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The canonical SMILES for 2-[3-[(S)-cyclobutyl-(4-methyl-1H-pyrazol-5-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is Cc1cn[nH]c1[C@@H](C1CCC1)C1CCCC(n2cc3c(C(F)(F)F)cc(CN4CCC[C@H](C)C4)cn3c2=O)C1.

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

The InChIKey is UXTIYQGYYFUSQG-QHUVGQRZSA-N. The full InChI is InChI=1S/C30H40F3N5O/c1-19-6-5-11-36(15-19)16-21-12-25(30(31,32)33)26-18-37(29(39)38(26)17-21)24-10-4-9-23(13-24)27(22-7-3-8-22)28-20(2)14-34-35-28/h12,14,17-19,22-24,27H,3-11,13,15-16H2,1-2H3,(H,34,35)/t19-,23?,24?,27-/m0/s1.

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

2-[3-[(S)-cyclobutyl-(4-methyl-1H-pyrazol-5-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 543.68 g/mol, XLogP of 6.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(S)-cyclobutyl-(4-methyl-1H-pyrazol-5-yl)methyl]cyclohexyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166078853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).