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

C25H24F2N6O — CID 148986514

IUPAC(5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-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(-c5cn(C)cn5)c(C(F)F)cc34)nc(C3CC3)n21
InChIInChI=1S/C25H24F2N6O/c1-13-25(34)32(3)11-20-22(30-24(33(13)20)14-7-8-14)15-5-4-6-18-16(15)9-17(23(26)27)21(29-18)19-10-31(2)12-28-19/h4-6,9-10,12-14,23H,7-8,11H2,1-3H3/t13-/m0/s1
InChIKeyPWTSJTXUQXCICT-ZDUSSCGKSA-N
MW462.50 g/mol
LogP4.85
Rot. Bonds4

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

(5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 148986514) has the molecular formula C25H24F2N6O and a molecular weight of 462.50 g/mol. Its IUPAC name is (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name(5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID148986514
Molecular FormulaC25H24F2N6O
Molecular Weight462.50 g/mol
Exact Mass462.20
IUPAC Name(5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-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(-c5cn(C)cn5)c(C(F)F)cc34)nc(C3CC3)n21
InChIInChI=1S/C25H24F2N6O/c1-13-25(34)32(3)11-20-22(30-24(33(13)20)14-7-8-14)15-5-4-6-18-16(15)9-17(23(26)27)21(29-18)19-10-31(2)12-28-19/h4-6,9-10,12-14,23H,7-8,11H2,1-3H3/t13-/m0/s1
InChIKeyPWTSJTXUQXCICT-ZDUSSCGKSA-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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Related Compounds

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MpsBAY2a
CID 57381882
1-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 124114481
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CID 146316177
9-[(3R,4R)-4-fluoro-1-methylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
CID 168275101
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CID 10523594
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CID 24862841
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CID 45484535

Frequently Asked Questions

What is the IUPAC name of (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 148986514) is (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-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(-c5cn(C)cn5)c(C(F)F)cc34)nc(C3CC3)n21.
What is the InChIKey of (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is PWTSJTXUQXCICT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C25H24F2N6O/c1-13-25(34)32(3)11-20-22(30-24(33(13)20)14-7-8-14)15-5-4-6-18-16(15)9-17(23(26)27)21(29-18)19-10-31(2)12-28-19/h4-6,9-10,12-14,23H,7-8,11H2,1-3H3/t13-/m0/s1.
What are the key properties of (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-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 (5S)-3-cyclopropyl-1-[3-(difluoromethyl)-2-(1-methylimidazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 148986514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).