8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one

C29H34F2N6O3 — CID 166079282

About 8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one

8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one (PubChem CID 166079282) has the molecular formula C29H34F2N6O3 and a molecular weight of 552.63 g/mol. Its IUPAC name is 8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166079282
• Molecular Formula: C29H34F2N6O3
• Molecular Weight: 552.63 g/mol
• Exact Mass: 552.27
• IUPAC Name: 8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one
• SMILES: COC1CCN(Cc2cc(C(C)(F)F)c3cn(-c4cccc(C5(Cc6nncn6C)COC5)c4)c(=O)n3c2)CC1
• InChI: InChI=1S/C29H34F2N6O3/c1-28(30,31)24-11-20(14-35-9-7-23(39-3)8-10-35)15-37-25(24)16-36(27(37)38)22-6-4-5-21(12-22)29(17-40-18-29)13-26-33-32-19-34(26)2/h4-6,11-12,15-16,19,23H,7-10,13-14,17-18H2,1-3H3
• InChIKey: KMGFJCHTEJGSTK-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 78.82 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.63
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one?

The IUPAC name of 8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one (CID 166079282) is 8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one.

What is the SMILES notation for 8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one?

The canonical SMILES for 8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one is COC1CCN(Cc2cc(C(C)(F)F)c3cn(-c4cccc(C5(Cc6nncn6C)COC5)c4)c(=O)n3c2)CC1.

What is the InChIKey of 8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one?

The InChIKey is KMGFJCHTEJGSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N6O3/c1-28(30,31)24-11-20(14-35-9-7-23(39-3)8-10-35)15-37-25(24)16-36(27(37)38)22-6-4-5-21(12-22)29(17-40-18-29)13-26-33-32-19-34(26)2/h4-6,11-12,15-16,19,23H,7-10,13-14,17-18H2,1-3H3.

What are the key properties of 8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one?

8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one has a molecular weight of 552.63 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1,1-difluoroethyl)-6-[(4-methoxypiperidin-1-yl)methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166079282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).