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

C27H27F2N7O2 — CID 139558328

About 3-(1-acetylazetidin-3-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-acetylazetidin-3-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 139558328) has the molecular formula C27H27F2N7O2 and a molecular weight of 519.56 g/mol. Its IUPAC name is 3-(1-acetylazetidin-3-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-acetylazetidin-3-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: 139558328
• Molecular Formula: C27H27F2N7O2
• Molecular Weight: 519.56 g/mol
• Exact Mass: 519.22
• IUPAC Name: 3-(1-acetylazetidin-3-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: CC(=O)N1CC(c2nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c3n2C(C)C(=O)N(C)C3)C1
• InChI: InChI=1S/C27H27F2N7O2/c1-14-27(38)33(3)13-22-24(32-26(36(14)22)17-11-35(12-17)15(2)37)18-6-5-7-21-19(18)8-20(25(28)29)23(31-21)16-9-30-34(4)10-16/h5-10,14,17,25H,11-13H2,1-4H3
• InChIKey: AFHRYUGWJQYYJM-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 89.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.56
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylazetidin-3-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-acetylazetidin-3-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 139558328) is 3-(1-acetylazetidin-3-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-acetylazetidin-3-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-acetylazetidin-3-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 CC(=O)N1CC(c2nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c3n2C(C)C(=O)N(C)C3)C1.

What is the InChIKey of 3-(1-acetylazetidin-3-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 AFHRYUGWJQYYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N7O2/c1-14-27(38)33(3)13-22-24(32-26(36(14)22)17-11-35(12-17)15(2)37)18-6-5-7-21-19(18)8-20(25(28)29)23(31-21)16-9-30-34(4)10-16/h5-10,14,17,25H,11-13H2,1-4H3.

What are the key properties of 3-(1-acetylazetidin-3-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-acetylazetidin-3-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 519.56 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-acetylazetidin-3-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 139558328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).