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

C25H25F2N7O — CID 139558301

IUPAC3-(azetidin-3-yl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CNC3)n21
InChIInChI=1S/C25H25F2N7O/c1-13-25(35)32(2)12-20-22(31-24(34(13)20)14-8-28-9-14)16-5-4-6-19-17(16)7-18(23(26)27)21(30-19)15-10-29-33(3)11-15/h4-7,10-11,13-14,23,28H,8-9,12H2,1-3H3
InChIKeyLHLHYWVATFWJIY-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.66
Rot. Bonds4

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

3-(azetidin-3-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 139558301) has the molecular formula C25H25F2N7O and a molecular weight of 477.52 g/mol. Its IUPAC name is 3-(azetidin-3-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 Name3-(azetidin-3-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 CID139558301
Molecular FormulaC25H25F2N7O
Molecular Weight477.52 g/mol
Exact Mass477.21
IUPAC Name3-(azetidin-3-yl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CNC3)n21
InChIInChI=1S/C25H25F2N7O/c1-13-25(35)32(2)12-20-22(31-24(34(13)20)14-8-28-9-14)16-5-4-6-19-17(16)7-18(23(26)27)21(30-19)15-10-29-33(3)11-15/h4-7,10-11,13-14,23,28H,8-9,12H2,1-3H3
InChIKeyLHLHYWVATFWJIY-UHFFFAOYSA-N
XLogP3.66
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-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 3-(azetidin-3-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 139558301) is 3-(azetidin-3-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 3-(azetidin-3-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 3-(azetidin-3-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 CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CNC3)n21.
What is the InChIKey of 3-(azetidin-3-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 LHLHYWVATFWJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O/c1-13-25(35)32(2)12-20-22(31-24(34(13)20)14-8-28-9-14)16-5-4-6-19-17(16)7-18(23(26)27)21(30-19)15-10-29-33(3)11-15/h4-7,10-11,13-14,23,28H,8-9,12H2,1-3H3.
What are the key properties of 3-(azetidin-3-yl)-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
3-(azetidin-3-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 477.52 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-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 139558301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).