6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-2-[5-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]cyclohexa-1,3-dien-1-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C30H33F5N6O — CID 166080016

About 6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-2-[5-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]cyclohexa-1,3-dien-1-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-2-[5-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]cyclohexa-1,3-dien-1-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166080016) has the molecular formula C30H33F5N6O and a molecular weight of 588.63 g/mol. Its IUPAC name is 6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-2-[5-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]cyclohexa-1,3-dien-1-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-2-[5-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]cyclohexa-1,3-dien-1-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166080016
• Molecular Formula: C30H33F5N6O
• Molecular Weight: 588.63 g/mol
• Exact Mass: 588.26
• IUPAC Name: 6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-2-[5-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]cyclohexa-1,3-dien-1-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: CC1CN(Cc2cc(C(F)(F)F)c3cn(C4=CC=CC(C5(c6nncn6C)CC6(CC6)C5)C4)c(=O)n3c2)CCC1(F)F
• InChI: InChI=1S/C30H33F5N6O/c1-19-12-39(9-8-29(19,31)32)13-20-10-23(30(33,34)35)24-15-40(26(42)41(24)14-20)22-5-3-4-21(11-22)28(16-27(17-28)6-7-27)25-37-36-18-38(25)2/h3-5,10,14-15,18-19,21H,6-9,11-13,16-17H2,1-2H3
• InChIKey: AFTWJGYLFRIVMK-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 60.36 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.63
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-2-[5-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]cyclohexa-1,3-dien-1-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The IUPAC name of 6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-2-[5-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]cyclohexa-1,3-dien-1-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166080016) is 6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-2-[5-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]cyclohexa-1,3-dien-1-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

What is the SMILES notation for 6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-2-[5-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]cyclohexa-1,3-dien-1-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The canonical SMILES for 6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-2-[5-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]cyclohexa-1,3-dien-1-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CC1CN(Cc2cc(C(F)(F)F)c3cn(C4=CC=CC(C5(c6nncn6C)CC6(CC6)C5)C4)c(=O)n3c2)CCC1(F)F.

What is the InChIKey of 6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-2-[5-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]cyclohexa-1,3-dien-1-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The InChIKey is AFTWJGYLFRIVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F5N6O/c1-19-12-39(9-8-29(19,31)32)13-20-10-23(30(33,34)35)24-15-40(26(42)41(24)14-20)22-5-3-4-21(11-22)28(16-27(17-28)6-7-27)25-37-36-18-38(25)2/h3-5,10,14-15,18-19,21H,6-9,11-13,16-17H2,1-2H3.

What are the key properties of 6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-2-[5-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]cyclohexa-1,3-dien-1-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-2-[5-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]cyclohexa-1,3-dien-1-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 588.63 g/mol, XLogP of 5.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4,4-difluoro-3-methylpiperidin-1-yl)methyl]-2-[5-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]cyclohexa-1,3-dien-1-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166080016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).