C112H124N28O5 — CID 160538281
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 160538281) has the molecular formula C112H124N28O5 and a molecular weight of 1942.41 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 160538281 |
| Molecular Formula | C112H124N28O5 |
| Molecular Weight | 1942.41 g/mol |
| Exact Mass | 1941.03 |
| IUPAC Name | N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-piperidin-1-yl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(pyrrolidin-1-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | CN1CCN(c2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCCC6)c5)cc34)cn2)CC1.O=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccc(N2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12 |
| InChI | InChI=1S/C29H32N6O.C28H32N8O.C28H31N7O.C27H29N7O2/c36-29(31-25-8-5-21(6-9-25)19-34-11-1-2-12-34)28-26-16-23(7-10-27(26)32-33-28)24-15-22(17-30-18-24)20-35-13-3-4-14-35;1-34-10-12-36(13-11-34)26-7-5-23(18-30-26)31-28(37)27-24-15-21(4-6-25(24)32-33-27)22-14-20(16-29-17-22)19-35-8-2-3-9-35;36-28(31-23-7-9-26(30-18-23)35-12-2-1-3-13-35)27-24-15-21(6-8-25(24)32-33-27)22-14-20(16-29-17-22)19-34-10-4-5-11-34;35-27(30-22-4-6-25(29-17-22)34-9-11-36-12-10-34)26-23-14-20(3-5-24(23)31-32-26)21-13-19(15-28-16-21)18-33-7-1-2-8-33/h5-10,15-18H,1-4,11-14,19-20H2,(H,31,36)(H,32,33);4-7,14-18H,2-3,8-13,19H2,1H3,(H,31,37)(H,32,33);6-9,14-18H,1-5,10-13,19H2,(H,31,36)(H,32,33);3-6,13-17H,1-2,7-12,18H2,(H,30,35)(H,31,32) |
| InChIKey | QWLDWMAGBSJHQX-UHFFFAOYSA-N |
| XLogP | 17.25 |
| TPSA | 359.74 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 145 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1942.41 |
| LogP ≤ 5 | 17.25 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |