C116H130N26O5 — CID 157283077
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(morpholin-4-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(piperidin-1-ylmethyl)phenyl]-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 157283077) has the molecular formula C116H130N26O5 and a molecular weight of 1968.49 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-[4-(morpholin-4-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(piperidin-1-ylmethyl)phenyl]-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-[4-(morpholin-4-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(piperidin-1-ylmethyl)phenyl]-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 | 157283077 |
| Molecular Formula | C116H130N26O5 |
| Molecular Weight | 1968.49 g/mol |
| Exact Mass | 1967.07 |
| IUPAC Name | N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(morpholin-4-ylmethyl)phenyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[4-(piperidin-1-ylmethyl)phenyl]-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(CN2CCCCC2)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccc(CN2CCOCC2)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12 |
| InChI | InChI=1S/C30H34N6O.C29H32N6O2.C29H32N6O.C28H32N8O/c37-30(32-26-9-6-22(7-10-26)20-35-12-2-1-3-13-35)29-27-17-24(8-11-28(27)33-34-29)25-16-23(18-31-19-25)21-36-14-4-5-15-36;36-29(31-25-6-3-21(4-7-25)19-35-11-13-37-14-12-35)28-26-16-23(5-8-27(26)32-33-28)24-15-22(17-30-18-24)20-34-9-1-2-10-34;36-29(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/h6-11,16-19H,1-5,12-15,20-21H2,(H,32,37)(H,33,34);3-8,15-18H,1-2,9-14,19-20H2,(H,31,36)(H,32,33);5-10,15-18H,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) |
| InChIKey | AZXDTEMJEKEJBF-UHFFFAOYSA-N |
| XLogP | 18.45 |
| TPSA | 333.96 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 147 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1968.49 |
| LogP ≤ 5 | 18.45 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 23 |