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

C25H24F2N6O — CID 139558435

IUPAC(5R)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@@H]1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CC3)n21
InChIInChI=1S/C25H24F2N6O/c1-13-25(34)31(2)12-20-22(30-24(33(13)20)14-7-8-14)16-5-4-6-19-17(16)9-18(23(26)27)21(29-19)15-10-28-32(3)11-15/h4-6,9-11,13-14,23H,7-8,12H2,1-3H3/t13-/m1/s1
InChIKeyOPRLJTKXGDBVAC-CYBMUJFWSA-N
MW462.50 g/mol
LogP4.85
Rot. Bonds4

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

(5R)-3-cyclopropyl-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 139558435) has the molecular formula C25H24F2N6O and a molecular weight of 462.50 g/mol. Its IUPAC name is (5R)-3-cyclopropyl-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 Name(5R)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139558435
Molecular FormulaC25H24F2N6O
Molecular Weight462.50 g/mol
Exact Mass462.20
IUPAC Name(5R)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@@H]1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CC3)n21
InChIInChI=1S/C25H24F2N6O/c1-13-25(34)31(2)12-20-22(30-24(33(13)20)14-7-8-14)16-5-4-6-19-17(16)9-18(23(26)27)21(29-19)15-10-28-32(3)11-15/h4-6,9-11,13-14,23H,7-8,12H2,1-3H3/t13-/m1/s1
InChIKeyOPRLJTKXGDBVAC-CYBMUJFWSA-N
XLogP4.85
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-cyclopropyl-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 (5R)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139558435) is (5R)-3-cyclopropyl-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 (5R)-3-cyclopropyl-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 (5R)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is C[C@@H]1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CC3)n21.
What is the InChIKey of (5R)-3-cyclopropyl-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 OPRLJTKXGDBVAC-CYBMUJFWSA-N. The full InChI is InChI=1S/C25H24F2N6O/c1-13-25(34)31(2)12-20-22(30-24(33(13)20)14-7-8-14)16-5-4-6-19-17(16)9-18(23(26)27)21(29-19)15-10-28-32(3)11-15/h4-6,9-11,13-14,23H,7-8,12H2,1-3H3/t13-/m1/s1.
What are the key properties of (5R)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5R)-3-cyclopropyl-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 462.50 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-cyclopropyl-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 139558435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).