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

C107H112F5N23O9S2 — CID 159266291

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;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-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-[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;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-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 (PubChem CID 159266291) has the molecular formula C107H112F5N23O9S2 and a molecular weight of 2023.35 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;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-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.

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;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-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
• PubChem CID: 159266291
• Molecular Formula: C107H112F5N23O9S2
• Molecular Weight: 2023.35 g/mol
• Exact Mass: 2021.84
• 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;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-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
• SMILES: CC1C(=O)N(C)Cc2c(-c3c(F)ccc4nc(-c5ccn(C)n5)c(C(F)F)cc34)nc(C3(C)CCOCC3)n21.CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCS(=O)(=O)CC3)n21.Cc1cn(-c2cc3cccc(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5C)c3cn2)cn1.Cc1ncc(-c2cc3cccc(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)C5C)c3cn2)s1
• InChI: InChI=1S/C28H29F3N6O2.C27H28F2N6O3S.C26H28N6O2.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;1-15-27(36)33(2)14-22-24(32-26(35(15)22)16-7-9-39(37,38)10-8-16)18-5-4-6-21-19(18)11-20(25(28)29)23(31-21)17-12-30-34(3)13-17;1-16-13-31(15-28-16)23-11-19-5-4-6-20(21(19)12-27-23)24-22-14-30(3)26(33)17(2)32(22)25(29-24)18-7-9-34-10-8-18;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;4-6,11-13,15-16,25H,7-10,14H2,1-3H3;4-6,11-13,15,17-18H,7-10,14H2,1-3H3;4-6,11-13,15,17H,7-10,14H2,1-3H3
• InChIKey: KXDJSCKQCHLPPE-UHFFFAOYSA-N
• XLogP: 18.41
• TPSA: 332.26 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 14
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2023.35
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

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

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;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-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 (CID 159266291) 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;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-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.

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

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;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-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 is CC1C(=O)N(C)Cc2c(-c3c(F)ccc4nc(-c5ccn(C)n5)c(C(F)F)cc34)nc(C3(C)CCOCC3)n21.CC1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)nc(C3CCS(=O)(=O)CC3)n21.Cc1cn(-c2cc3cccc(-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;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-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?

The InChIKey is KXDJSCKQCHLPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N6O2.C27H28F2N6O3S.C26H28N6O2.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;1-15-27(36)33(2)14-22-24(32-26(35(15)22)16-7-9-39(37,38)10-8-16)18-5-4-6-21-19(18)11-20(25(28)29)23(31-21)17-12-30-34(3)13-17;1-16-13-31(15-28-16)23-11-19-5-4-6-20(21(19)12-27-23)24-22-14-30(3)26(33)17(2)32(22)25(29-24)18-7-9-34-10-8-18;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;4-6,11-13,15-16,25H,7-10,14H2,1-3H3;4-6,11-13,15,17-18H,7-10,14H2,1-3H3;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;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-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-[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;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-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 has a molecular weight of 2023.35 g/mol, XLogP of 18.41, 14 rotatable bonds, 0 hydrogen bond donors, and 29 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;1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1,1-dioxothian-4-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;5,7-dimethyl-1-[3-(4-methylimidazol-1-yl)isoquinolin-8-yl]-3-(oxan-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 is sourced from PubChem (CID 159266291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).