C146H142F2N38O12 — CID 159418813
N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-4-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide (PubChem CID 159418813) has the molecular formula C146H142F2N38O12 and a molecular weight of 2658.99 g/mol. Its IUPAC name is N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-4-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide.
| Compound Name | N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-4-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide |
|---|---|
| PubChem CID | 159418813 |
| Molecular Formula | C146H142F2N38O12 |
| Molecular Weight | 2658.99 g/mol |
| Exact Mass | 2657.16 |
| IUPAC Name | N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[3-[5-cyano-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-4-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-ylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-6-(2-cyanopropan-2-yl)pyridazine-4-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2cc(C(C)(F)F)ccn2)cc1-c1cnc(N2CC(C)(O)C2)c(C#N)c1.Cc1ccc(NC(=O)c2cc(C(C)C)on2)cc1-c1cnc(N(C)C)c(C#N)c1.Cc1ccc(NC(=O)c2cc(C3CC3)on2)cc1-c1cnc(N(C)C)c(C#N)c1.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cnc(N2CCOCC2)c(C#N)c1.Cc1ncc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cnc(NC2CCOCC2)c(C#N)c1 |
| InChI | InChI=1S/C26H26N8O2.C26H25N7O2.C25H23F2N5O2.C25H24N8O2.C22H21N5O2.C22H23N5O2/c1-16-22(18-8-17(11-27)24(30-12-18)32-20-4-6-36-7-5-20)10-21(14-29-16)33-25(35)19-9-23(34-31-13-19)26(2,3)15-28;1-17-4-5-21(31-25(34)20-11-23(32-30-15-20)26(2,3)16-28)12-22(17)19-10-18(13-27)24(29-14-19)33-6-8-35-9-7-33;1-15-4-5-19(31-23(33)21-9-18(6-7-29-21)25(3,26)27)10-20(15)17-8-16(11-28)22(30-12-17)32-13-24(2,34)14-32;1-16-21(18-8-17(11-26)23(29-12-18)33-4-6-35-7-5-33)10-20(14-28-16)31-24(34)19-9-22(32-30-13-19)25(2,3)15-27;1-13-4-7-17(25-22(28)19-10-20(29-26-19)14-5-6-14)9-18(13)16-8-15(11-23)21(24-12-16)27(2)3;1-13(2)20-10-19(26-29-20)22(28)25-17-7-6-14(3)18(9-17)16-8-15(11-23)21(24-12-16)27(4)5/h8-10,12-14,20H,4-7H2,1-3H3,(H,30,32)(H,33,35);4-5,10-12,14-15H,6-9H2,1-3H3,(H,31,34);4-10,12,34H,13-14H2,1-3H3,(H,31,33);8-10,12-14H,4-7H2,1-3H3,(H,31,34);4,7-10,12,14H,5-6H2,1-3H3,(H,25,28);6-10,12-13H,1-5H3,(H,25,28) |
| InChIKey | LPMSNLCHMNEIST-UHFFFAOYSA-N |
| XLogP | 23.10 |
| TPSA | 710.27 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 198 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2658.99 |
| LogP ≤ 5 | 23.10 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 44 |