C234H270N58O11 — CID 158771587
N-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 158771587) has the molecular formula C234H270N58O11 and a molecular weight of 4071.13 g/mol. Its IUPAC name is N-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | N-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158771587 |
| Molecular Formula | C234H270N58O11 |
| Molecular Weight | 4071.13 g/mol |
| Exact Mass | 4068.24 |
| IUPAC Name | N-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | CN1CCN(Cc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)cn2)CC1.CN1CCN(Cc2cncc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)c2)CC1.O=C(Nc1ccc(CN2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccc(CN2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccc(CN2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccc(N2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1cncc(CN2CCCC2)c1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.O=C(Nc1cncc(CN2CCCCC2)c1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12 |
| InChI | InChI=1S/2C30H36N8O.C30H35N7O.2C29H33N7O2.2C29H33N7O.C28H31N7O2/c1-36-11-13-38(14-12-36)21-26-7-6-25(19-32-26)33-30(39)29-27-16-23(5-8-28(27)34-35-29)24-15-22(17-31-18-24)20-37-9-3-2-4-10-37;1-36-9-11-38(12-10-36)21-23-14-26(19-32-17-23)33-30(39)29-27-15-24(5-6-28(27)34-35-29)25-13-22(16-31-18-25)20-37-7-3-2-4-8-37;38-30(33-25-8-9-26(32-19-25)21-37-13-5-2-6-14-37)29-27-16-23(7-10-28(27)34-35-29)24-15-22(17-31-18-24)20-36-11-3-1-4-12-36;37-29(32-24-5-6-25(31-18-24)20-36-10-12-38-13-11-36)28-26-15-22(4-7-27(26)33-34-28)23-14-21(16-30-17-23)19-35-8-2-1-3-9-35;37-29(32-25-13-22(16-31-18-25)20-35-6-2-1-3-7-35)28-26-14-23(4-5-27(26)33-34-28)24-12-21(15-30-17-24)19-36-8-10-38-11-9-36;37-29(32-24-8-10-27(31-19-24)36-13-5-2-6-14-36)28-25-16-22(7-9-26(25)33-34-28)23-15-21(17-30-18-23)20-35-11-3-1-4-12-35;37-29(32-24-7-8-25(31-18-24)20-36-12-4-5-13-36)28-26-15-22(6-9-27(26)33-34-28)23-14-21(16-30-17-23)19-35-10-2-1-3-11-35;36-28(31-24-12-21(15-30-17-24)19-34-5-1-2-6-34)27-25-13-22(3-4-26(25)32-33-27)23-11-20(14-29-16-23)18-35-7-9-37-10-8-35/h5-8,15-19H,2-4,9-14,20-21H2,1H3,(H,33,39)(H,34,35);5-6,13-19H,2-4,7-12,20-21H2,1H3,(H,33,39)(H,34,35);7-10,15-19H,1-6,11-14,20-21H2,(H,33,38)(H,34,35);4-7,14-18H,1-3,8-13,19-20H2,(H,32,37)(H,33,34);4-5,12-18H,1-3,6-11,19-20H2,(H,32,37)(H,33,34);7-10,15-19H,1-6,11-14,20H2,(H,32,37)(H,33,34);6-9,14-18H,1-5,10-13,19-20H2,(H,32,37)(H,33,34);3-4,11-17H,1-2,5-10,18-19H2,(H,31,36)(H,32,33) |
| InChIKey | IPXXBEKKRMYHJI-UHFFFAOYSA-N |
| XLogP | 35.24 |
| TPSA | 754.49 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 55 |
| Heavy Atoms | 303 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4071.13 |
| LogP ≤ 5 | 35.24 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 53 |