C232H272N64O12 — CID 158474647
N,5-bis[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 158474647) has the molecular formula C232H272N64O12 and a molecular weight of 4149.16 g/mol. Its IUPAC name is N,5-bis[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | N,5-bis[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158474647 |
| Molecular Formula | C232H272N64O12 |
| Molecular Weight | 4149.16 g/mol |
| Exact Mass | 4146.26 |
| IUPAC Name | N,5-bis[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | CN1CCN(Cc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCOCC6)c5)cc34)cn2)CC1.CN1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(N6CCCC6)nc5)c4c3)c2)CC1.CN1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(N6CCCCC6)nc5)c4c3)c2)CC1.CN1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5cncc(CN6CCCC6)c5)c4c3)c2)CC1.CN1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5cncc(CN6CCCCC6)c5)c4c3)c2)CC1.CN1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5cncc(CN6CCOCC6)c5)c4c3)c2)CC1.CN1CCN(Cc2cncc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCN(C)CC6)c5)cc34)c2)CC1.O=C(Nc1ccc(CN2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C30H37N9O.C30H36N8O.2C29H34N8O2.2C29H34N8O.C28H32N8O.C28H31N7O3/c1-36-5-9-38(10-6-36)20-22-13-25(18-31-16-22)24-3-4-28-27(15-24)29(35-34-28)30(40)33-26-14-23(17-32-19-26)21-39-11-7-37(2)8-12-39;1-36-9-11-38(12-10-36)20-22-13-25(18-31-16-22)24-5-6-28-27(15-24)29(35-34-28)30(39)33-26-14-23(17-32-19-26)21-37-7-3-2-4-8-37;1-35-6-8-36(9-7-35)20-25-4-3-24(18-31-25)32-29(38)28-26-15-22(2-5-27(26)33-34-28)23-14-21(16-30-17-23)19-37-10-12-39-13-11-37;1-35-4-6-36(7-5-35)19-21-12-24(17-30-15-21)23-2-3-27-26(14-23)28(34-33-27)29(38)32-25-13-22(16-31-18-25)20-37-8-10-39-11-9-37;1-35-8-10-37(11-9-35)19-21-12-24(17-30-15-21)23-4-5-27-26(14-23)28(34-33-27)29(38)32-25-13-22(16-31-18-25)20-36-6-2-3-7-36;1-35-11-13-36(14-12-35)20-21-15-23(18-30-17-21)22-5-7-26-25(16-22)28(34-33-26)29(38)32-24-6-8-27(31-19-24)37-9-3-2-4-10-37;1-34-10-12-35(13-11-34)19-20-14-22(17-29-16-20)21-4-6-25-24(15-21)27(33-32-25)28(37)31-23-5-7-26(30-18-23)36-8-2-3-9-36;36-28(31-23-2-3-24(30-17-23)19-35-7-11-38-12-8-35)27-25-14-21(1-4-26(25)32-33-27)22-13-20(15-29-16-22)18-34-5-9-37-10-6-34/h3-4,13-19H,5-12,20-21H2,1-2H3,(H,33,40)(H,34,35);5-6,13-19H,2-4,7-12,20-21H2,1H3,(H,33,39)(H,34,35);2-5,14-18H,6-13,19-20H2,1H3,(H,32,38)(H,33,34);2-3,12-18H,4-11,19-20H2,1H3,(H,32,38)(H,33,34);4-5,12-18H,2-3,6-11,19-20H2,1H3,(H,32,38)(H,33,34);5-8,15-19H,2-4,9-14,20H2,1H3,(H,32,38)(H,33,34);4-7,14-18H,2-3,8-13,19H2,1H3,(H,31,37)(H,32,33);1-4,13-17H,5-12,18-19H2,(H,31,36)(H,32,33) |
| InChIKey | HGUAFCWEFFAUTJ-UHFFFAOYSA-N |
| XLogP | 26.66 |
| TPSA | 783.16 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 60 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 308 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4149.16 |
| LogP ≤ 5 | 26.66 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 60 |