3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1-ethylazetidin-3-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C109H117F8N29O6 — CID 158041179

About 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1-ethylazetidin-3-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1-ethylazetidin-3-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 158041179) has the molecular formula C109H117F8N29O6 and a molecular weight of 2081.32 g/mol. Its IUPAC name is 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1-ethylazetidin-3-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

• Compound Name: 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1-ethylazetidin-3-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• PubChem CID: 158041179
• Molecular Formula: C109H117F8N29O6
• Molecular Weight: 2081.32 g/mol
• Exact Mass: 2079.96
• IUPAC Name: 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1-ethylazetidin-3-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
• SMILES: CCN1CC(c2nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c3n2C(C)C(=O)N(C)C3)C1.CCN1CC(c2nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c3n2C(C)C(=O)N(C)C3)C1.CNC(=O)N1CC(c2nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c3n2C(C)C(=O)N(C)C3)C1.COCCN1CC(c2nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c3n2C(C)C(=O)N(C)C3)C1
• InChI: InChI=1S/C28H31F2N7O2.C27H28F2N8O2.2C27H29F2N7O/c1-16-28(38)34(2)15-23-25(33-27(37(16)23)18-13-36(14-18)8-9-39-4)19-6-5-7-22-20(19)10-21(26(29)30)24(32-22)17-11-31-35(3)12-17;1-14-26(38)34(3)13-21-23(33-25(37(14)21)16-11-36(12-16)27(39)30-2)17-6-5-7-20-18(17)8-19(24(28)29)22(32-20)15-9-31-35(4)10-15;2*1-5-35-12-17(13-35)26-32-24(22-14-33(3)27(37)15(2)36(22)26)18-7-6-8-21-19(18)9-20(25(28)29)23(31-21)16-10-30-34(4)11-16/h5-7,10-12,16,18,26H,8-9,13-15H2,1-4H3;5-10,14,16,24H,11-13H2,1-4H3,(H,30,39);2*6-11,15,17,25H,5,12-14H2,1-4H3
• InChIKey: FIJGQHYUCUZNKF-UHFFFAOYSA-N
• XLogP: 16.50
• TPSA: 326.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2081.32
LogP ≤ 5	16.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1-ethylazetidin-3-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The IUPAC name of 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1-ethylazetidin-3-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 158041179) is 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1-ethylazetidin-3-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

What is the SMILES notation for 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1-ethylazetidin-3-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The canonical SMILES for 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1-ethylazetidin-3-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is CCN1CC(c2nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c3n2C(C)C(=O)N(C)C3)C1.CCN1CC(c2nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c3n2C(C)C(=O)N(C)C3)C1.CNC(=O)N1CC(c2nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c3n2C(C)C(=O)N(C)C3)C1.COCCN1CC(c2nc(-c3cccc4nc(-c5cnn(C)c5)c(C(F)F)cc34)c3n2C(C)C(=O)N(C)C3)C1.

What is the InChIKey of 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1-ethylazetidin-3-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

The InChIKey is FIJGQHYUCUZNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2N7O2.C27H28F2N8O2.2C27H29F2N7O/c1-16-28(38)34(2)15-23-25(33-27(37(16)23)18-13-36(14-18)8-9-39-4)19-6-5-7-22-20(19)10-21(26(29)30)24(32-22)17-11-31-35(3)12-17;1-14-26(38)34(3)13-21-23(33-25(37(14)21)16-11-36(12-16)27(39)30-2)17-6-5-7-20-18(17)8-19(24(28)29)22(32-20)15-9-31-35(4)10-15;2*1-5-35-12-17(13-35)26-32-24(22-14-33(3)27(37)15(2)36(22)26)18-7-6-8-21-19(18)9-20(25(28)29)23(31-21)16-10-30-34(4)11-16/h5-7,10-12,16,18,26H,8-9,13-15H2,1-4H3;5-10,14,16,24H,11-13H2,1-4H3,(H,30,39);2*6-11,15,17,25H,5,12-14H2,1-4H3.

What are the key properties of 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1-ethylazetidin-3-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?

3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1-ethylazetidin-3-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 2081.32 g/mol, XLogP of 16.50, 21 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-3-yl]-N-methylazetidine-1-carboxamide;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(1-ethylazetidin-3-yl)-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one);1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-[1-(2-methoxyethyl)azetidin-3-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 158041179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).