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

C27H26F5N7O — CID 139558354

About 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-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-(2,2,2-trifluoroethyl)azetidin-3-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558354) has the molecular formula C27H26F5N7O and a molecular weight of 559.54 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-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-(2,2,2-trifluoroethyl)azetidin-3-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• PubChem CID: 139558354
• Molecular Formula: C27H26F5N7O
• Molecular Weight: 559.54 g/mol
• Exact Mass: 559.21
• IUPAC Name: 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-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(C3CN(CC(F)(F)F)C3)n21
• InChI: InChI=1S/C27H26F5N7O/c1-14-26(40)36(2)12-21-23(35-25(39(14)21)16-10-38(11-16)13-27(30,31)32)17-5-4-6-20-18(17)7-19(24(28)29)22(34-20)15-8-33-37(3)9-15/h4-9,14,16,24H,10-13H2,1-3H3
• InChIKey: QWPKDILAEFRUHT-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 72.08 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.54
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-(2,2,2-trifluoroethyl)azetidin-3-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-(2,2,2-trifluoroethyl)azetidin-3-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558354) is 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-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-(2,2,2-trifluoroethyl)azetidin-3-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-(2,2,2-trifluoroethyl)azetidin-3-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(C3CN(CC(F)(F)F)C3)n21.

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

The InChIKey is QWPKDILAEFRUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F5N7O/c1-14-26(40)36(2)12-21-23(35-25(39(14)21)16-10-38(11-16)13-27(30,31)32)17-5-4-6-20-18(17)7-19(24(28)29)22(34-20)15-8-33-37(3)9-15/h4-9,14,16,24H,10-13H2,1-3H3.

What are the key properties of 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-[1-(2,2,2-trifluoroethyl)azetidin-3-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-(2,2,2-trifluoroethyl)azetidin-3-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 559.54 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 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-(2,2,2-trifluoroethyl)azetidin-3-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).