C203H193F7N50O12S — CID 159027673
2-(1-cyanocyclopropyl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 159027673) has the molecular formula C203H193F7N50O12S and a molecular weight of 3690.17 g/mol. Its IUPAC name is 2-(1-cyanocyclopropyl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | 2-(1-cyanocyclopropyl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 159027673 |
| Molecular Formula | C203H193F7N50O12S |
| Molecular Weight | 3690.17 g/mol |
| Exact Mass | 3687.56 |
| IUPAC Name | 2-(1-cyanocyclopropyl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(C3(C#N)CC3)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C3(C#N)CC3)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1 |
| InChI | InChI=1S/C27H27N7O.C27H24N6O2.C26H23N7O2.C26H28N6O.C25H24F2N6O.C24H21F3N6O.C24H22F2N6O.C24H24N6O3S/c1-18-4-5-22(33-26(35)19-6-7-31-24(13-19)27(2,3)17-29)14-23(18)21-12-20(15-28)25(32-16-21)34-10-8-30-9-11-34;1-18-2-3-22(32-26(34)19-4-7-30-24(13-19)27(17-29)5-6-27)14-23(18)21-12-20(15-28)25(31-16-21)33-8-10-35-11-9-33;1-17-22(20-10-19(13-27)24(31-14-20)33-6-8-35-9-7-33)12-21(15-30-17)32-25(34)18-2-5-29-23(11-18)26(16-28)3-4-26;1-17(2)24-13-19(6-7-29-24)26(33)31-22-5-4-18(3)23(14-22)21-12-20(15-27)25(30-16-21)32-10-8-28-9-11-32;1-16-3-4-20(32-24(34)17-5-6-30-22(12-17)25(2,26)27)13-21(16)19-11-18(14-28)23(31-15-19)33-9-7-29-8-10-33;1-15-2-3-19(32-23(34)16-4-5-30-21(11-16)24(25,26)27)12-20(15)18-10-17(13-28)22(31-14-18)33-8-6-29-7-9-33;1-15-2-3-19(31-24(33)16-4-5-29-21(11-16)22(25)26)12-20(15)18-10-17(13-27)23(30-14-18)32-8-6-28-7-9-32;1-16-3-4-20(29-24(31)17-5-6-27-22(12-17)34(2,32)33)13-21(16)19-11-18(14-25)23(28-15-19)30-9-7-26-8-10-30/h4-7,12-14,16,30H,8-11H2,1-3H3,(H,33,35);2-4,7,12-14,16H,5-6,8-11H2,1H3,(H,32,34);2,5,10-12,14-15H,3-4,6-9H2,1H3,(H,32,34);4-7,12-14,16-17,28H,8-11H2,1-3H3,(H,31,33);3-6,11-13,15,29H,7-10H2,1-2H3,(H,32,34);2-5,10-12,14,29H,6-9H2,1H3,(H,32,34);2-5,10-12,14,22,28H,6-9H2,1H3,(H,31,33);3-6,11-13,15,26H,7-10H2,1-2H3,(H,29,31) |
| InChIKey | JUMBOCMGWVSHFL-UHFFFAOYSA-N |
| XLogP | 29.64 |
| TPSA | 864.32 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 54 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 273 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3690.17 |
| LogP ≤ 5 | 29.64 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 54 |