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

C28H31F2N7O3S — CID 139558321

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

1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558321) has the molecular formula C28H31F2N7O3S and a molecular weight of 583.67 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

• Compound Name: 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• PubChem CID: 139558321
• Molecular Formula: C28H31F2N7O3S
• Molecular Weight: 583.67 g/mol
• Exact Mass: 583.22
• IUPAC Name: 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-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(S(C)(=O)=O)CC3)n21
• InChI: InChI=1S/C28H31F2N7O3S/c1-16-28(38)34(2)15-23-25(33-27(37(16)23)17-8-10-36(11-9-17)41(4,39)40)19-6-5-7-22-20(19)12-21(26(29)30)24(32-22)18-13-31-35(3)14-18/h5-7,12-14,16-17,26H,8-11,15H2,1-4H3
• InChIKey: XVIBUEOFTNQUTB-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 106.22 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.67
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558321) is 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

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

The canonical SMILES for 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-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(S(C)(=O)=O)CC3)n21.

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

The InChIKey is XVIBUEOFTNQUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2N7O3S/c1-16-28(38)34(2)15-23-25(33-27(37(16)23)17-8-10-36(11-9-17)41(4,39)40)19-6-5-7-22-20(19)12-21(26(29)30)24(32-22)18-13-31-35(3)14-18/h5-7,12-14,16-17,26H,8-11,15H2,1-4H3.

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

1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 583.67 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-(1-methylsulfonylpiperidin-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).