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

C29H32F3N7O — CID 139558231

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

1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-fluoroethyl)piperidin-4-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558231) has the molecular formula C29H32F3N7O and a molecular weight of 551.62 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-fluoroethyl)piperidin-4-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

• Compound Name: 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-fluoroethyl)piperidin-4-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• PubChem CID: 139558231
• Molecular Formula: C29H32F3N7O
• Molecular Weight: 551.62 g/mol
• Exact Mass: 551.26
• IUPAC Name: 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-fluoroethyl)piperidin-4-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(CCF)CC3)n21
• InChI: InChI=1S/C29H32F3N7O/c1-17-29(40)36(2)16-24-26(35-28(39(17)24)18-7-10-38(11-8-18)12-9-30)20-5-4-6-23-21(20)13-22(27(31)32)25(34-23)19-14-33-37(3)15-19/h4-6,13-15,17-18,27H,7-12,16H2,1-3H3
• InChIKey: KMEZCOQVSOSSGA-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 72.08 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.62
LogP ≤ 5	5.12
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]-3-[1-(2-fluoroethyl)piperidin-4-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The IUPAC name of 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-fluoroethyl)piperidin-4-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558231) is 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-fluoroethyl)piperidin-4-yl]-5,7-dimethyl-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]-3-[1-(2-fluoroethyl)piperidin-4-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The canonical SMILES for 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-fluoroethyl)piperidin-4-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(CCF)CC3)n21.

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

The InChIKey is KMEZCOQVSOSSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F3N7O/c1-17-29(40)36(2)16-24-26(35-28(39(17)24)18-7-10-38(11-8-18)12-9-30)20-5-4-6-23-21(20)13-22(27(31)32)25(34-23)19-14-33-37(3)15-19/h4-6,13-15,17-18,27H,7-12,16H2,1-3H3.

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

1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-fluoroethyl)piperidin-4-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 551.62 g/mol, XLogP of 5.12, 6 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]-3-[1-(2-fluoroethyl)piperidin-4-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).