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

C27H26F4N6O2 — CID 139558250

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

1-[6-fluoro-2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558250) has the molecular formula C27H26F4N6O2 and a molecular weight of 542.54 g/mol. Its IUPAC name is 1-[6-fluoro-2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

• Compound Name: 1-[6-fluoro-2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• PubChem CID: 139558250
• Molecular Formula: C27H26F4N6O2
• Molecular Weight: 542.54 g/mol
• Exact Mass: 542.21
• IUPAC Name: 1-[6-fluoro-2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)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(-c3c(F)ccc4nc(-c5cnn(C)c5)c(C(F)(F)F)cc34)nc(C3CCOCC3)n21
• InChI: InChI=1S/C27H26F4N6O2/c1-14-26(38)35(2)13-21-24(34-25(37(14)21)15-6-8-39-9-7-15)22-17-10-18(27(29,30)31)23(16-11-32-36(3)12-16)33-20(17)5-4-19(22)28/h4-5,10-12,14-15H,6-9,13H2,1-3H3
• InChIKey: XZWPMQMRFSJADR-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 78.07 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.54
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[6-fluoro-2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558250) is 1-[6-fluoro-2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)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-[6-fluoro-2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The canonical SMILES for 1-[6-fluoro-2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)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(-c3c(F)ccc4nc(-c5cnn(C)c5)c(C(F)(F)F)cc34)nc(C3CCOCC3)n21.

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

The InChIKey is XZWPMQMRFSJADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F4N6O2/c1-14-26(38)35(2)13-21-24(34-25(37(14)21)15-6-8-39-9-7-15)22-17-10-18(27(29,30)31)23(16-11-32-36(3)12-16)33-20(17)5-4-19(22)28/h4-5,10-12,14-15H,6-9,13H2,1-3H3.

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

1-[6-fluoro-2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 542.54 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-fluoro-2-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)quinolin-5-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).