1-[3-(difluoromethyl)-6-fluoro-2-(1-methylpyrazol-3-yl)quinolin-5-yl]-5,7-dimethyl-3-(4-methyloxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C107H114F5N21O9S — CID 159324012

About 1-[3-(difluoromethyl)-6-fluoro-2-(1-methylpyrazol-3-yl)quinolin-5-yl]-5,7-dimethyl-3-(4-methyloxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

1-[3-(difluoromethyl)-6-fluoro-2-(1-methylpyrazol-3-yl)quinolin-5-yl]-5,7-dimethyl-3-(4-methyloxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 159324012) has the molecular formula C107H114F5N21O9S and a molecular weight of 1965.28 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-6-fluoro-2-(1-methylpyrazol-3-yl)quinolin-5-yl]-5,7-dimethyl-3-(4-methyloxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

• Compound Name: 1-[3-(difluoromethyl)-6-fluoro-2-(1-methylpyrazol-3-yl)quinolin-5-yl]-5,7-dimethyl-3-(4-methyloxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• PubChem CID: 159324012
• Molecular Formula: C107H114F5N21O9S
• Molecular Weight: 1965.28 g/mol
• Exact Mass: 1963.87
• IUPAC Name: 1-[3-(difluoromethyl)-6-fluoro-2-(1-methylpyrazol-3-yl)quinolin-5-yl]-5,7-dimethyl-3-(4-methyloxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• SMILES: CC1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n21.CC1C(=O)N(C)Cc2c(-c3c(F)ccc4nc(-c5ccn(C)n5)c(C(F)F)cc34)nc(C3(C)CCOCC3)n21.Cc1cn(-c2cc3ccc(F)c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5C)c3cn2)cn1.Cc1ncc(-c2cc3cccc(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5C)c3cn2)s1
• InChI: InChI=1S/C28H29F3N6O2.C27H31FN4O3.C26H27FN6O2.C26H27N5O2S/c1-15-26(38)35(3)14-21-24(33-27(37(15)21)28(2)8-11-39-12-9-28)22-16-13-17(25(30)31)23(20-7-10-36(4)34-20)32-19(16)6-5-18(22)29;1-16-27(33)31(2)15-23-25(30-26(32(16)23)18-7-11-35-12-8-18)24-20-14-29-22(17-5-9-34-10-6-17)13-19(20)3-4-21(24)28;1-15-12-32(14-29-15)22-10-18-4-5-20(27)23(19(18)11-28-22)24-21-13-31(3)26(34)16(2)33(21)25(30-24)17-6-8-35-9-7-17;1-15-26(32)30(3)14-22-24(29-25(31(15)22)17-7-9-33-10-8-17)19-6-4-5-18-11-21(28-12-20(18)19)23-13-27-16(2)34-23/h5-7,10,13,15,25H,8-9,11-12,14H2,1-4H3;3-4,13-14,16-18H,5-12,15H2,1-2H3;4-5,10-12,14,16-17H,6-9,13H2,1-3H3;4-6,11-13,15,17H,7-10,14H2,1-3H3
• InChIKey: LECYHNRDPVFCSW-UHFFFAOYSA-N
• XLogP: 18.85
• TPSA: 298.76 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1965.28
LogP ≤ 5	18.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-6-fluoro-2-(1-methylpyrazol-3-yl)quinolin-5-yl]-5,7-dimethyl-3-(4-methyloxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The IUPAC name of 1-[3-(difluoromethyl)-6-fluoro-2-(1-methylpyrazol-3-yl)quinolin-5-yl]-5,7-dimethyl-3-(4-methyloxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 159324012) is 1-[3-(difluoromethyl)-6-fluoro-2-(1-methylpyrazol-3-yl)quinolin-5-yl]-5,7-dimethyl-3-(4-methyloxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

What is the SMILES notation for 1-[3-(difluoromethyl)-6-fluoro-2-(1-methylpyrazol-3-yl)quinolin-5-yl]-5,7-dimethyl-3-(4-methyloxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The canonical SMILES for 1-[3-(difluoromethyl)-6-fluoro-2-(1-methylpyrazol-3-yl)quinolin-5-yl]-5,7-dimethyl-3-(4-methyloxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CC1C(=O)N(C)Cc2c(-c3c(F)ccc4cc(C5CCOCC5)ncc34)nc(C3CCOCC3)n21.CC1C(=O)N(C)Cc2c(-c3c(F)ccc4nc(-c5ccn(C)n5)c(C(F)F)cc34)nc(C3(C)CCOCC3)n21.Cc1cn(-c2cc3ccc(F)c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5C)c3cn2)cn1.Cc1ncc(-c2cc3cccc(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5C)c3cn2)s1.

What is the InChIKey of 1-[3-(difluoromethyl)-6-fluoro-2-(1-methylpyrazol-3-yl)quinolin-5-yl]-5,7-dimethyl-3-(4-methyloxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The InChIKey is LECYHNRDPVFCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N6O2.C27H31FN4O3.C26H27FN6O2.C26H27N5O2S/c1-15-26(38)35(3)14-21-24(33-27(37(15)21)28(2)8-11-39-12-9-28)22-16-13-17(25(30)31)23(20-7-10-36(4)34-20)32-19(16)6-5-18(22)29;1-16-27(33)31(2)15-23-25(30-26(32(16)23)18-7-11-35-12-8-18)24-20-14-29-22(17-5-9-34-10-6-17)13-19(20)3-4-21(24)28;1-15-12-32(14-29-15)22-10-18-4-5-20(27)23(19(18)11-28-22)24-21-13-31(3)26(34)16(2)33(21)25(30-24)17-6-8-35-9-7-17;1-15-26(32)30(3)14-22-24(29-25(31(15)22)17-7-9-33-10-8-17)19-6-4-5-18-11-21(28-12-20(18)19)23-13-27-16(2)34-23/h5-7,10,13,15,25H,8-9,11-12,14H2,1-4H3;3-4,13-14,16-18H,5-12,15H2,1-2H3;4-5,10-12,14,16-17H,6-9,13H2,1-3H3;4-6,11-13,15,17H,7-10,14H2,1-3H3.

What are the key properties of 1-[3-(difluoromethyl)-6-fluoro-2-(1-methylpyrazol-3-yl)quinolin-5-yl]-5,7-dimethyl-3-(4-methyloxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

1-[3-(difluoromethyl)-6-fluoro-2-(1-methylpyrazol-3-yl)quinolin-5-yl]-5,7-dimethyl-3-(4-methyloxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 1965.28 g/mol, XLogP of 18.85, 13 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(difluoromethyl)-6-fluoro-2-(1-methylpyrazol-3-yl)quinolin-5-yl]-5,7-dimethyl-3-(4-methyloxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 159324012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).