2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C31H34F3N7O2 — CID 166079153

About 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166079153) has the molecular formula C31H34F3N7O2 and a molecular weight of 593.65 g/mol. Its IUPAC name is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166079153
• Molecular Formula: C31H34F3N7O2
• Molecular Weight: 593.65 g/mol
• Exact Mass: 593.27
• IUPAC Name: 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: CN1CCC2(CCN(Cc3cc(C(F)(F)F)c4cn(-c5cccc([C@H](c6nncn6C)C6CCC6)c5)c(=O)n4c3)C2)C1=O
• InChI: InChI=1S/C31H34F3N7O2/c1-37-11-9-30(28(37)42)10-12-39(18-30)15-20-13-24(31(32,33)34)25-17-40(29(43)41(25)16-20)23-8-4-7-22(14-23)26(21-5-3-6-21)27-36-35-19-38(27)2/h4,7-8,13-14,16-17,19,21,26H,3,5-6,9-12,15,18H2,1-2H3/t26-,30?/m1/s1
• InChIKey: MPJDQSFPHNKWRQ-FIQOPJFZSA-N
• XLogP: 4.22
• TPSA: 80.67 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.65
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The IUPAC name of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166079153) is 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

What is the SMILES notation for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The canonical SMILES for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CN1CCC2(CCN(Cc3cc(C(F)(F)F)c4cn(-c5cccc([C@H](c6nncn6C)C6CCC6)c5)c(=O)n4c3)C2)C1=O.

What is the InChIKey of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The InChIKey is MPJDQSFPHNKWRQ-FIQOPJFZSA-N. The full InChI is InChI=1S/C31H34F3N7O2/c1-37-11-9-30(28(37)42)10-12-39(18-30)15-20-13-24(31(32,33)34)25-17-40(29(43)41(25)16-20)23-8-4-7-22(14-23)26(21-5-3-6-21)27-36-35-19-38(27)2/h4,7-8,13-14,16-17,19,21,26H,3,5-6,9-12,15,18H2,1-2H3/t26-,30?/m1/s1.

What are the key properties of 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 593.65 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166079153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).