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

C28H32F2N6O2 — CID 163936642

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

1-[3-(difluoromethyl)-2-methyl-2-(1-methylpyrazol-4-yl)-1H-quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 163936642) has the molecular formula C28H32F2N6O2 and a molecular weight of 522.60 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-methyl-2-(1-methylpyrazol-4-yl)-1H-quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

• Compound Name: 1-[3-(difluoromethyl)-2-methyl-2-(1-methylpyrazol-4-yl)-1H-quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• PubChem CID: 163936642
• Molecular Formula: C28H32F2N6O2
• Molecular Weight: 522.60 g/mol
• Exact Mass: 522.26
• IUPAC Name: 1-[3-(difluoromethyl)-2-methyl-2-(1-methylpyrazol-4-yl)-1H-quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• SMILES: CC1C(=O)N(C)Cc2c(-c3cccc4c3C=C(C(F)F)C(C)(c3cnn(C)c3)N4)nc(C3CCOCC3)n21
• InChI: InChI=1S/C28H32F2N6O2/c1-16-27(37)34(3)15-23-24(32-26(36(16)23)17-8-10-38-11-9-17)19-6-5-7-22-20(19)12-21(25(29)30)28(2,33-22)18-13-31-35(4)14-18/h5-7,12-14,16-17,25,33H,8-11,15H2,1-4H3
• InChIKey: RNJVHMJISSVJRJ-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 77.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.60
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[3-(difluoromethyl)-2-methyl-2-(1-methylpyrazol-4-yl)-1H-quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 163936642) is 1-[3-(difluoromethyl)-2-methyl-2-(1-methylpyrazol-4-yl)-1H-quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

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

The canonical SMILES for 1-[3-(difluoromethyl)-2-methyl-2-(1-methylpyrazol-4-yl)-1H-quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC1C(=O)N(C)Cc2c(-c3cccc4c3C=C(C(F)F)C(C)(c3cnn(C)c3)N4)nc(C3CCOCC3)n21.

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

The InChIKey is RNJVHMJISSVJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2N6O2/c1-16-27(37)34(3)15-23-24(32-26(36(16)23)17-8-10-38-11-9-17)19-6-5-7-22-20(19)12-21(25(29)30)28(2,33-22)18-13-31-35(4)14-18/h5-7,12-14,16-17,25,33H,8-11,15H2,1-4H3.

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

1-[3-(difluoromethyl)-2-methyl-2-(1-methylpyrazol-4-yl)-1H-quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 522.60 g/mol, XLogP of 4.70, 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-methyl-2-(1-methylpyrazol-4-yl)-1H-quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 163936642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).