C147H139F6N33O10S — CID 158917816
N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;5-[2-methyl-5-[2-(2-methylsulfonyl-4-pyridinyl)acetyl]phenyl]-2-piperazin-1-ylpyridine-3-carbonitrile;5-[2-methyl-5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]phenyl]-2-piperazin-1-ylpyridine-3-carbonitrile (PubChem CID 158917816) has the molecular formula C147H139F6N33O10S and a molecular weight of 2674.00 g/mol. Its IUPAC name is N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;5-[2-methyl-5-[2-(2-methylsulfonyl-4-pyridinyl)acetyl]phenyl]-2-piperazin-1-ylpyridine-3-carbonitrile;5-[2-methyl-5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]phenyl]-2-piperazin-1-ylpyridine-3-carbonitrile.
| Compound Name | N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;5-[2-methyl-5-[2-(2-methylsulfonyl-4-pyridinyl)acetyl]phenyl]-2-piperazin-1-ylpyridine-3-carbonitrile;5-[2-methyl-5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]phenyl]-2-piperazin-1-ylpyridine-3-carbonitrile |
|---|---|
| PubChem CID | 158917816 |
| Molecular Formula | C147H139F6N33O10S |
| Molecular Weight | 2674.00 g/mol |
| Exact Mass | 2672.10 |
| IUPAC Name | N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;5-[2-methyl-5-[2-(2-methylsulfonyl-4-pyridinyl)acetyl]phenyl]-2-piperazin-1-ylpyridine-3-carbonitrile;5-[2-methyl-5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]phenyl]-2-piperazin-1-ylpyridine-3-carbonitrile |
| SMILES | Cc1ccc(C(=O)Cc2ccnc(C(F)(F)F)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ccc(C(=O)Cc2ccnc(S(C)(=O)=O)c2)cc1-c1cnc(N2CCNCC2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(C(C)C)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(C2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(N(C)C)c(C#N)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cnc(C(C)C)c(C#N)c1 |
| InChI | InChI=1S/C27H26N6O2.C25H22F3N5O.C25H24N6O.C25H25N5O3S.C23H24N6O2.C22H18F3N5O/c1-17-23(21-10-20(13-28)25(32-14-21)18-5-8-35-9-6-18)12-22(15-31-17)33-26(34)19-4-7-30-24(11-19)27(2,3)16-29;1-16-2-3-18(22(34)10-17-4-5-31-23(11-17)25(26,27)28)13-21(16)20-12-19(14-29)24(32-15-20)33-8-6-30-7-9-33;1-15(2)23-18(11-26)8-19(12-30-23)21-10-20(13-29-16(21)3)31-24(32)17-6-7-28-22(9-17)25(4,5)14-27;1-17-3-4-19(23(31)11-18-5-6-28-24(12-18)34(2,32)33)14-22(17)21-13-20(15-26)25(29-16-21)30-9-7-27-8-10-30;1-14-19(17-8-16(11-24)21(27-12-17)29(4)5)10-18(13-26-14)28-22(30)15-6-7-25-20(9-15)23(2,3)31;1-12(2)20-15(9-26)6-16(10-29-20)18-8-17(11-28-13(18)3)30-21(31)14-4-5-27-19(7-14)22(23,24)25/h4,7,10-12,14-15,18H,5-6,8-9H2,1-3H3,(H,33,34);2-5,11-13,15,30H,6-10H2,1H3;6-10,12-13,15H,1-5H3,(H,31,32);3-6,12-14,16,27H,7-11H2,1-2H3;6-10,12-13,31H,1-5H3,(H,28,30);4-8,10-12H,1-3H3,(H,30,31) |
| InChIKey | JHLKDZMOFWHXDA-UHFFFAOYSA-N |
| XLogP | 24.68 |
| TPSA | 644.48 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 197 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2674.00 |
| LogP ≤ 5 | 24.68 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 39 |