C113H124F4N30O5 — CID 157065750
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 157065750) has the molecular formula C113H124F4N30O5 and a molecular weight of 2058.43 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157065750 |
| Molecular Formula | C113H124F4N30O5 |
| Molecular Weight | 2058.43 g/mol |
| Exact Mass | 2057.03 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC(O)CC6)c5)cc34)cn2)CC1.CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCC6)c5)cc34)cn2)CC1.O=C(Nc1ccc(N2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(N2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12 |
| InChI | InChI=1S/C29H31F2N7O.C29H34N8O2.C28H29F2N7O.C27H30N8O/c30-29(31)8-12-37(13-9-29)19-20-14-22(17-32-16-20)21-4-6-25-24(15-21)27(36-35-25)28(39)34-23-5-7-26(33-18-23)38-10-2-1-3-11-38;1-35-10-12-37(13-11-35)27-5-3-23(18-31-27)32-29(39)28-25-15-21(2-4-26(25)33-34-28)22-14-20(16-30-17-22)19-36-8-6-24(38)7-9-36;29-28(30)8-11-36(18-28)17-19-12-21(15-31-14-19)20-4-6-24-23(13-20)26(35-34-24)27(38)33-22-5-7-25(32-16-22)37-9-2-1-3-10-37;1-33-9-11-35(12-10-33)25-6-4-22(17-29-25)30-27(36)26-23-14-20(3-5-24(23)31-32-26)21-13-19(15-28-16-21)18-34-7-2-8-34/h4-7,14-18H,1-3,8-13,19H2,(H,34,39)(H,35,36);2-5,14-18,24,38H,6-13,19H2,1H3,(H,32,39)(H,33,34);4-7,12-16H,1-3,8-11,17-18H2,(H,33,38)(H,34,35);3-6,13-17H,2,7-12,18H2,1H3,(H,30,36)(H,31,32) |
| InChIKey | ABVVXZKKBCEYSR-UHFFFAOYSA-N |
| XLogP | 16.81 |
| TPSA | 386.87 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 152 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2058.43 |
| LogP ≤ 5 | 16.81 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 27 |