C132H151N29O5 — CID 162014378
N-(4-cyanophenyl)-5-[5-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]methanone;N-(1-methylpiperidin-4-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 162014378) has the molecular formula C132H151N29O5 and a molecular weight of 2223.86 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-[3-[(dimethylamino)methyl]phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]methanone;N-(1-methylpiperidin-4-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-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-[3-[(dimethylamino)methyl]phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]methanone;N-(1-methylpiperidin-4-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 162014378 |
| Molecular Formula | C132H151N29O5 |
| Molecular Weight | 2223.86 g/mol |
| Exact Mass | 2222.25 |
| IUPAC Name | N-(4-cyanophenyl)-5-[5-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;(4-methylpiperazin-1-yl)-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]methanone;N-(1-methylpiperidin-4-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | CN(C)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)c1.CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)CC1.CN1CCN(C(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)CC1.C[C@@H]1CCC[C@H](C)N1Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C#N)cc4)c3c2)c1.C[C@@H]1CCC[C@H](C)N1Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)c1 |
| InChI | InChI=1S/C28H28N6O.C28H32N6O.C27H29N5O.C25H32N6O.C24H30N6O/c1-18-4-3-5-19(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;1-18-7-6-8-19(2)32(18)17-20-13-22(16-28-15-20)21-11-12-25-24(14-21)26(31-30-25)27(33)29-23-9-4-3-5-10-23;1-30-11-7-21(8-12-30)27-25(32)24-22-14-19(5-6-23(22)28-29-24)20-13-18(15-26-16-20)17-31-9-3-2-4-10-31;1-28-9-11-30(12-10-28)24(31)23-21-14-19(5-6-22(21)26-27-23)20-13-18(15-25-16-20)17-29-7-3-2-4-8-29/h6-13,15-16,18-19H,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);3-5,9-16,18-19H,6-8,17H2,1-2H3,(H,29,33)(H,30,31);5-6,13-16,21H,2-4,7-12,17H2,1H3,(H,27,32)(H,28,29);5-6,13-16H,2-4,7-12,17H2,1H3,(H,26,27)/t18-,19+;;18-,19+;; |
| InChIKey | YTXCTPZPFHIYDU-PEIJWFLBSA-N |
| XLogP | 22.51 |
| TPSA | 394.27 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2223.86 |
| LogP ≤ 5 | 22.51 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 24 |