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

C25H28F2N6O — CID 139570976

IUPAC(5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@@H]1C(=O)N(C)Cc2c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nc(C3CC3)n21
InChIInChI=1S/C25H28F2N6O/c1-14-25(34)30(2)13-21-24(29-23(33(14)21)15-6-7-15)32-8-4-5-16-9-18(17-11-28-31(3)12-17)19(22(26)27)10-20(16)32/h9-12,14-15,22H,4-8,13H2,1-3H3/t14-/m1/s1
InChIKeyKECYVMVFYPBARC-CQSZACIVSA-N
MW466.54 g/mol
LogP4.72
Rot. Bonds4

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

(5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139570976) has the molecular formula C25H28F2N6O and a molecular weight of 466.54 g/mol. Its IUPAC name is (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name(5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139570976
Molecular FormulaC25H28F2N6O
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Name(5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESC[C@@H]1C(=O)N(C)Cc2c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nc(C3CC3)n21
InChIInChI=1S/C25H28F2N6O/c1-14-25(34)30(2)13-21-24(29-23(33(14)21)15-6-7-15)32-8-4-5-16-9-18(17-11-28-31(3)12-17)19(22(26)27)10-20(16)32/h9-12,14-15,22H,4-8,13H2,1-3H3/t14-/m1/s1
InChIKeyKECYVMVFYPBARC-CQSZACIVSA-N
XLogP4.72
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.72
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-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139570976) is (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is C[C@@H]1C(=O)N(C)Cc2c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nc(C3CC3)n21.
What is the InChIKey of (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is KECYVMVFYPBARC-CQSZACIVSA-N. The full InChI is InChI=1S/C25H28F2N6O/c1-14-25(34)30(2)13-21-24(29-23(33(14)21)15-6-7-15)32-8-4-5-16-9-18(17-11-28-31(3)12-17)19(22(26)27)10-20(16)32/h9-12,14-15,22H,4-8,13H2,1-3H3/t14-/m1/s1.
What are the key properties of (5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5R)-3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 466.54 g/mol, XLogP of 4.72, 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-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139570976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).