About 1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-dimethylpyrrolo[2,3-c]pyridin-3-yl]propan-1-one;5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methoxy-1,3-dimethylbenzimidazol-2-one;1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-7-(oxan-4-yl)indol-3-yl]propan-1-one;N,1-dimethyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide
1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-dimethylpyrrolo[2,3-c]pyridin-3-yl]propan-1-one;5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methoxy-1,3-dimethylbenzimidazol-2-one;1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-7-(oxan-4-yl)indol-3-yl]propan-1-one;N,1-dimethyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide (PubChem CID 160943433) has the molecular formula C154H152F10N30O9
and a molecular weight of 2757.09 g/mol. Its IUPAC name is 1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-dimethylpyrrolo[2,3-c]pyridin-3-yl]propan-1-one;5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methoxy-1,3-dimethylbenzimidazol-2-one;1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-7-(oxan-4-yl)indol-3-yl]propan-1-one;N,1-dimethyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-dimethylpyrrolo[2,3-c]pyridin-3-yl]propan-1-one;5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methoxy-1,3-dimethylbenzimidazol-2-one;1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-7-(oxan-4-yl)indol-3-yl]propan-1-one;N,1-dimethyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide?
The IUPAC name of 1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-dimethylpyrrolo[2,3-c]pyridin-3-yl]propan-1-one;5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methoxy-1,3-dimethylbenzimidazol-2-one;1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-7-(oxan-4-yl)indol-3-yl]propan-1-one;N,1-dimethyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide (CID 160943433) is 1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-dimethylpyrrolo[2,3-c]pyridin-3-yl]propan-1-one;5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methoxy-1,3-dimethylbenzimidazol-2-one;1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-7-(oxan-4-yl)indol-3-yl]propan-1-one;N,1-dimethyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide.
What is the SMILES notation for 1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-dimethylpyrrolo[2,3-c]pyridin-3-yl]propan-1-one;5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methoxy-1,3-dimethylbenzimidazol-2-one;1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-7-(oxan-4-yl)indol-3-yl]propan-1-one;N,1-dimethyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide?
The canonical SMILES for 1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-dimethylpyrrolo[2,3-c]pyridin-3-yl]propan-1-one;5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methoxy-1,3-dimethylbenzimidazol-2-one;1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-7-(oxan-4-yl)indol-3-yl]propan-1-one;N,1-dimethyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide is C#Cc1cc(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)cc2c1n(C)c(=O)n2C.C#Cc1cc2c(cc1N1CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc31)n(C)c(=O)n2C.CCC(=O)c1cn(C)c2c(C)nc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)cc12.CCC(=O)c1cn(C)c2c(C3CCOCC3)cc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)cc12.CNC(=O)c1ccc2c(c1)n(-c1cccc3cc(-c4cnn(C)c4)ncc13)c(=O)n2C.COc1cc(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)cc2c1n(C)c(=O)n2C.
What is the InChIKey of 1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-dimethylpyrrolo[2,3-c]pyridin-3-yl]propan-1-one;5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methoxy-1,3-dimethylbenzimidazol-2-one;1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-7-(oxan-4-yl)indol-3-yl]propan-1-one;N,1-dimethyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide?
The InChIKey is SUUPKCCKBSMYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F2N4O2.C26H27F2N5O.2C25H23F2N5O.C24H25F2N5O2.C23H20N6O2/c1-4-29(38)27-18-35(2)30-24(19-7-10-39-11-8-19)13-22(14-25(27)30)37-9-5-6-20-12-23(21-16-34-36(3)17-21)26(31(32)33)15-28(20)37;1-5-23(34)21-14-31(3)25-15(2)30-24(11-19(21)25)33-8-6-7-16-9-18(17-12-29-32(4)13-17)20(26(27)28)10-22(16)33;1-5-15-10-22-23(31(4)25(33)30(22)3)12-21(15)32-8-6-7-16-9-18(17-13-28-29(2)14-17)19(24(26)27)11-20(16)32;1-5-15-9-18(11-22-23(15)31(4)25(33)30(22)3)32-8-6-7-16-10-19(17-13-28-29(2)14-17)20(24(26)27)12-21(16)32;1-28-13-15(12-27-28)17-8-14-6-5-7-31(19(14)11-18(17)23(25)26)16-9-20-22(21(10-16)33-4)30(3)24(32)29(20)2;1-24-22(30)15-7-8-20-21(10-15)29(23(31)28(20)3)19-6-4-5-14-9-18(25-12-17(14)19)16-11-26-27(2)13-16/h12-19,31H,4-11H2,1-3H3;9-14,26H,5-8H2,1-4H3;2*1,9-14,24H,6-8H2,2-4H3;8-13,23H,5-7H2,1-4H3;4-13H,1-3H3,(H,24,30).
What are the key properties of 1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-dimethylpyrrolo[2,3-c]pyridin-3-yl]propan-1-one;5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methoxy-1,3-dimethylbenzimidazol-2-one;1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-7-(oxan-4-yl)indol-3-yl]propan-1-one;N,1-dimethyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide?
1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-dimethylpyrrolo[2,3-c]pyridin-3-yl]propan-1-one;5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methoxy-1,3-dimethylbenzimidazol-2-one;1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-7-(oxan-4-yl)indol-3-yl]propan-1-one;N,1-dimethyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide has a molecular weight of 2757.09 g/mol, XLogP of 28.49, 24 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,7-dimethylpyrrolo[2,3-c]pyridin-3-yl]propan-1-one;5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-ethynyl-1,3-dimethylbenzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methoxy-1,3-dimethylbenzimidazol-2-one;1-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-7-(oxan-4-yl)indol-3-yl]propan-1-one;N,1-dimethyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide is sourced from PubChem (CID 160943433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).