3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C29H31F4N7O — CID 139558458

About 3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558458) has the molecular formula C29H31F4N7O and a molecular weight of 569.61 g/mol. Its IUPAC name is 3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

• Compound Name: 3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• PubChem CID: 139558458
• Molecular Formula: C29H31F4N7O
• Molecular Weight: 569.61 g/mol
• Exact Mass: 569.25
• IUPAC Name: 3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• SMILES: CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCN(CC(F)F)CC3)n21
• InChI: InChI=1S/C29H31F4N7O/c1-16-29(41)37(2)14-23-26(36-28(40(16)23)17-7-9-39(10-8-17)15-24(30)31)19-5-4-6-22-20(19)11-21(27(32)33)25(35-22)18-12-34-38(3)13-18/h4-6,11-13,16-17,24,27H,7-10,14-15H2,1-3H3
• InChIKey: WVDYNVJOFFYNNZ-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 72.08 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.61
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The IUPAC name of 3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558458) is 3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

What is the SMILES notation for 3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The canonical SMILES for 3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCN(CC(F)F)CC3)n21.

What is the InChIKey of 3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The InChIKey is WVDYNVJOFFYNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F4N7O/c1-16-29(41)37(2)14-23-26(36-28(40(16)23)17-7-9-39(10-8-17)15-24(30)31)19-5-4-6-22-20(19)11-21(27(32)33)25(35-22)18-12-34-38(3)13-18/h4-6,11-13,16-17,24,27H,7-10,14-15H2,1-3H3.

What are the key properties of 3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 569.61 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).