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

C24H22F2N6O — CID 139558432

IUPAC3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CC3)n2CC1=O
InChIInChI=1S/C24H22F2N6O/c1-30-11-19-22(29-24(13-6-7-13)32(19)12-20(30)33)15-4-3-5-18-16(15)8-17(23(25)26)21(28-18)14-9-27-31(2)10-14/h3-5,8-10,13,23H,6-7,11-12H2,1-2H3
InChIKeyZKNWIRINCQEWPI-UHFFFAOYSA-N
MW448.48 g/mol
LogP4.29
Rot. Bonds4

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

3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139558432) has the molecular formula C24H22F2N6O and a molecular weight of 448.48 g/mol. Its IUPAC name is 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558432
Molecular FormulaC24H22F2N6O
Molecular Weight448.48 g/mol
Exact Mass448.18
IUPAC Name3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCN1Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CC3)n2CC1=O
InChIInChI=1S/C24H22F2N6O/c1-30-11-19-22(29-24(13-6-7-13)32(19)12-20(30)33)15-4-3-5-18-16(15)8-17(23(25)26)21(28-18)14-9-27-31(2)10-14/h3-5,8-10,13,23H,6-7,11-12H2,1-2H3
InChIKeyZKNWIRINCQEWPI-UHFFFAOYSA-N
XLogP4.29
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558432) is 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CN1Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CC3)n2CC1=O.
What is the InChIKey of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is ZKNWIRINCQEWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O/c1-30-11-19-22(29-24(13-6-7-13)32(19)12-20(30)33)15-4-3-5-18-16(15)8-17(23(25)26)21(28-18)14-9-27-31(2)10-14/h3-5,8-10,13,23H,6-7,11-12H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 448.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-7-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139558432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).