C112H124N28O9 — CID 158731032
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 158731032) has the molecular formula C112H124N28O9 and a molecular weight of 2006.41 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.
| Compound Name | N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158731032 |
| Molecular Formula | C112H124N28O9 |
| Molecular Weight | 2006.41 g/mol |
| Exact Mass | 2005.01 |
| IUPAC Name | N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide |
| SMILES | CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCOCC6)c5)cc34)cn2)CC1.O=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.O=C(Nc1ccc(N2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C29H32N6O2.C28H32N8O2.C28H31N7O2.C27H29N7O3/c36-29(31-25-6-3-21(4-7-25)19-34-9-1-2-10-34)28-26-16-23(5-8-27(26)32-33-28)24-15-22(17-30-18-24)20-35-11-13-37-14-12-35;1-34-6-8-36(9-7-34)26-5-3-23(18-30-26)31-28(37)27-24-15-21(2-4-25(24)32-33-27)22-14-20(16-29-17-22)19-35-10-12-38-13-11-35;36-28(31-23-5-7-26(30-18-23)35-8-2-1-3-9-35)27-24-15-21(4-6-25(24)32-33-27)22-14-20(16-29-17-22)19-34-10-12-37-13-11-34;35-27(30-22-2-4-25(29-17-22)34-7-11-37-12-8-34)26-23-14-20(1-3-24(23)31-32-26)21-13-19(15-28-16-21)18-33-5-9-36-10-6-33/h3-8,15-18H,1-2,9-14,19-20H2,(H,31,36)(H,32,33);2-5,14-18H,6-13,19H2,1H3,(H,31,37)(H,32,33);4-7,14-18H,1-3,8-13,19H2,(H,31,36)(H,32,33);1-4,13-17H,5-12,18H2,(H,30,35)(H,31,32) |
| InChIKey | ILCIKTXUIORHPV-UHFFFAOYSA-N |
| XLogP | 14.20 |
| TPSA | 396.66 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 149 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2006.41 |
| LogP ≤ 5 | 14.20 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 29 |