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

C29H31F2N7O2 — CID 139574647

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

(5S)-3-(1-acetylpiperidin-4-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 139574647) has the molecular formula C29H31F2N7O2 and a molecular weight of 547.61 g/mol. Its IUPAC name is (5S)-3-(1-acetylpiperidin-4-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: (5S)-3-(1-acetylpiperidin-4-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: 139574647
• Molecular Formula: C29H31F2N7O2
• Molecular Weight: 547.61 g/mol
• Exact Mass: 547.25
• IUPAC Name: (5S)-3-(1-acetylpiperidin-4-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)N1CCC(c2nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c3n2[C@@H](C)C(=O)N(C)C3)CC1
• InChI: InChI=1S/C29H31F2N7O2/c1-16-29(40)35(3)15-24-26(34-28(38(16)24)18-8-10-37(11-9-18)17(2)39)20-6-5-7-23-21(20)12-22(27(30)31)25(33-23)19-13-32-36(4)14-19/h5-7,12-14,16,18,27H,8-11,15H2,1-4H3/t16-/m0/s1
• InChIKey: QVEOGPJMPRBPFG-INIZCTEOSA-N
• XLogP: 4.70
• TPSA: 89.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.61
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(1-acetylpiperidin-4-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 (5S)-3-(1-acetylpiperidin-4-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 139574647) is (5S)-3-(1-acetylpiperidin-4-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 (5S)-3-(1-acetylpiperidin-4-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 (5S)-3-(1-acetylpiperidin-4-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)N1CCC(c2nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c3n2[C@@H](C)C(=O)N(C)C3)CC1.

What is the InChIKey of (5S)-3-(1-acetylpiperidin-4-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 QVEOGPJMPRBPFG-INIZCTEOSA-N. The full InChI is InChI=1S/C29H31F2N7O2/c1-16-29(40)35(3)15-24-26(34-28(38(16)24)18-8-10-37(11-9-18)17(2)39)20-6-5-7-23-21(20)12-22(27(30)31)25(33-23)19-13-32-36(4)14-19/h5-7,12-14,16,18,27H,8-11,15H2,1-4H3/t16-/m0/s1.

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

(5S)-3-(1-acetylpiperidin-4-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 547.61 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-(1-acetylpiperidin-4-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 139574647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).