6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C28H29F3N6O — CID 166078782

About 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166078782) has the molecular formula C28H29F3N6O and a molecular weight of 522.58 g/mol. Its IUPAC name is 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166078782
• Molecular Formula: C28H29F3N6O
• Molecular Weight: 522.58 g/mol
• Exact Mass: 522.24
• IUPAC Name: 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: CC1CC(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CC6(CC6)C5)cn4c3=O)c2)(c2nncn2C)C1
• InChI: InChI=1S/C28H29F3N6O/c1-18-10-27(11-18,24-33-32-17-34(24)2)20-4-3-5-21(9-20)36-14-23-22(28(29,30)31)8-19(13-37(23)25(36)38)12-35-15-26(16-35)6-7-26/h3-5,8-9,13-14,17-18H,6-7,10-12,15-16H2,1-2H3
• InChIKey: GFWUAHCCBUHTTP-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 60.36 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.58
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The IUPAC name of 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166078782) is 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

What is the SMILES notation for 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The canonical SMILES for 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CC1CC(c2cccc(-n3cc4c(C(F)(F)F)cc(CN5CC6(CC6)C5)cn4c3=O)c2)(c2nncn2C)C1.

What is the InChIKey of 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The InChIKey is GFWUAHCCBUHTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N6O/c1-18-10-27(11-18,24-33-32-17-34(24)2)20-4-3-5-21(9-20)36-14-23-22(28(29,30)31)8-19(13-37(23)25(36)38)12-35-15-26(16-35)6-7-26/h3-5,8-9,13-14,17-18H,6-7,10-12,15-16H2,1-2H3.

What are the key properties of 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 522.58 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-azaspiro[2.3]hexan-5-ylmethyl)-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166078782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).