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

C27H29F2N7O — CID 139558353

About 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-piperidin-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-piperidin-4-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558353) has the molecular formula C27H29F2N7O and a molecular weight of 505.57 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-piperidin-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-piperidin-4-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• PubChem CID: 139558353
• Molecular Formula: C27H29F2N7O
• Molecular Weight: 505.57 g/mol
• Exact Mass: 505.24
• IUPAC Name: 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-piperidin-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(C3CCNCC3)n21
• InChI: InChI=1S/C27H29F2N7O/c1-15-27(37)34(2)14-22-24(33-26(36(15)22)16-7-9-30-10-8-16)18-5-4-6-21-19(18)11-20(25(28)29)23(32-21)17-12-31-35(3)13-17/h4-6,11-13,15-16,25,30H,7-10,14H2,1-3H3
• InChIKey: WRNLHLAJAUCVSI-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 80.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.57
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
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-piperidin-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-piperidin-4-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558353) is 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-piperidin-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-piperidin-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-piperidin-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(C3CCNCC3)n21.

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

The InChIKey is WRNLHLAJAUCVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N7O/c1-15-27(37)34(2)14-22-24(33-26(36(15)22)16-7-9-30-10-8-16)18-5-4-6-21-19(18)11-20(25(28)29)23(32-21)17-12-31-35(3)13-17/h4-6,11-13,15-16,25,30H,7-10,14H2,1-3H3.

What are the key properties of 1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-3-piperidin-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-piperidin-4-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 505.57 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 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-piperidin-4-yl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).