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

C27H28F2N6O2 — CID 153438000

IUPAC1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3ccnc4cc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n21
InChIInChI=1S/C27H28F2N6O2/c1-15-27(36)33(2)14-23-24(32-26(35(15)23)16-5-8-37-9-6-16)18-4-7-30-22-11-19(17-12-31-34(3)13-17)21(25(28)29)10-20(18)22/h4,7,10-13,15-16,25H,5-6,8-9,14H2,1-3H3
InChIKeyPVECRVZCNWETNZ-UHFFFAOYSA-N
MW506.56 g/mol
LogP4.86
Rot. Bonds4

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

1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 153438000) has the molecular formula C27H28F2N6O2 and a molecular weight of 506.56 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID153438000
Molecular FormulaC27H28F2N6O2
Molecular Weight506.56 g/mol
Exact Mass506.22
IUPAC Name1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3ccnc4cc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n21
InChIInChI=1S/C27H28F2N6O2/c1-15-27(36)33(2)14-23-24(32-26(35(15)23)16-5-8-37-9-6-16)18-4-7-30-22-11-19(17-12-31-34(3)13-17)21(25(28)29)10-20(18)22/h4,7,10-13,15-16,25H,5-6,8-9,14H2,1-3H3
InChIKeyPVECRVZCNWETNZ-UHFFFAOYSA-N
XLogP4.86
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 153438000) is 1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-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-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC1C(=O)N(C)Cc2c(-c3ccnc4cc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCOCC3)n21.
What is the InChIKey of 1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is PVECRVZCNWETNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O2/c1-15-27(36)33(2)14-23-24(32-26(35(15)23)16-5-8-37-9-6-16)18-4-7-30-22-11-19(17-12-31-34(3)13-17)21(25(28)29)10-20(18)22/h4,7,10-13,15-16,25H,5-6,8-9,14H2,1-3H3.
What are the key properties of 1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 506.56 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)quinolin-4-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 153438000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).