C135H144F3N31O6 — CID 158232751
N-(4-cyanophenyl)-5-[5-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 158232751) has the molecular formula C135H144F3N31O6 and a molecular weight of 2353.84 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-[5-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide.
| Compound Name | N-(4-cyanophenyl)-5-[5-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158232751 |
| Molecular Formula | C135H144F3N31O6 |
| Molecular Weight | 2353.84 g/mol |
| Exact Mass | 2352.19 |
| IUPAC Name | N-(4-cyanophenyl)-5-[5-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide |
| SMILES | CN(C)CCN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.CN(C)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)c1.C[C@@H]1CCC[C@H](C)N1Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C#N)cc4)c3c2)c1.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C29H36N8O.C28H28N6O.C28H32N6O.C25H22F3N5O2.C25H26N6O/c1-35(2)13-14-36(3)27-10-8-24(19-31-27)32-29(38)28-25-16-22(7-9-26(25)33-34-28)23-15-21(17-30-18-23)20-37-11-5-4-6-12-37;1-18-4-3-5-19(2)34(18)17-21-12-23(16-30-15-21)22-8-11-26-25(13-22)27(33-32-26)28(35)31-24-9-6-20(14-29)7-10-24;1-33(2)18-20-7-6-8-24(14-20)30-28(35)27-25-15-22(9-10-26(25)31-32-27)23-13-21(16-29-17-23)19-34-11-4-3-5-12-34;26-25(27,28)19-2-4-20(5-3-19)30-24(34)23-21-12-17(1-6-22(21)31-32-23)18-11-16(13-29-14-18)15-33-7-9-35-10-8-33;1-17-5-7-21(15-27-17)28-25(32)24-22-12-19(6-8-23(22)29-30-24)20-11-18(13-26-14-20)16-31-9-3-2-4-10-31/h7-10,15-19H,4-6,11-14,20H2,1-3H3,(H,32,38)(H,33,34);6-13,15-16,18-19H,3-5,17H2,1-2H3,(H,31,35)(H,32,33);6-10,13-17H,3-5,11-12,18-19H2,1-2H3,(H,30,35)(H,31,32);1-6,11-14H,7-10,15H2,(H,30,34)(H,31,32);5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30)/t;18-,19+;;; |
| InChIKey | GEOUULKMSVBQON-LKTAWHQWSA-N |
| XLogP | 23.99 |
| TPSA | 438.07 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 175 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2353.84 |
| LogP ≤ 5 | 23.99 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 27 |