3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-ethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C25H28F2N6O — CID 139558246

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

3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-ethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558246) has the molecular formula C25H28F2N6O and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-ethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

• Compound Name: 3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-ethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• PubChem CID: 139558246
• Molecular Formula: C25H28F2N6O
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.23
• IUPAC Name: 3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-ethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• SMILES: CCN1Cc2c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nc(C3CC3)n2CC1=O
• InChI: InChI=1S/C25H28F2N6O/c1-3-31-13-21-25(29-24(15-6-7-15)33(21)14-22(31)34)32-8-4-5-16-9-18(17-11-28-30(2)12-17)19(23(26)27)10-20(16)32/h9-12,15,23H,3-8,13-14H2,1-2H3
• InChIKey: VZRANZJNGSLNQP-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 59.19 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-ethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558246) is 3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-ethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

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

The canonical SMILES for 3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-ethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CCN1Cc2c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nc(C3CC3)n2CC1=O.

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

The InChIKey is VZRANZJNGSLNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N6O/c1-3-31-13-21-25(29-24(15-6-7-15)33(21)14-22(31)34)32-8-4-5-16-9-18(17-11-28-30(2)12-17)19(23(26)27)10-20(16)32/h9-12,15,23H,3-8,13-14H2,1-2H3.

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

3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-ethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 466.54 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-7-ethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).