C138H142N36O10 — CID 158015167
3-amino-N-[[3-amino-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]indazol-5-yl]methyl]-1H-indazole-5-carboxamide;3-amino-N-[(3-ethylphenyl)methyl]-1H-indazole-5-carboxamide;3-amino-N-(1H-indol-5-ylmethyl)-1H-indazole-5-carboxamide;3-amino-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide;3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]-1H-indazole-5-carboxamide;3-amino-N-[1-(4-methylphenyl)ethyl]-1H-indazole-5-carboxamide;3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide;3-amino-N-[(4-methylphenyl)methyl]-1H-indazole-5-carboxamide (PubChem CID 158015167) has the molecular formula C138H142N36O10 and a molecular weight of 2464.90 g/mol. Its IUPAC name is 3-amino-N-[[3-amino-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]indazol-5-yl]methyl]-1H-indazole-5-carboxamide;3-amino-N-[(3-ethylphenyl)methyl]-1H-indazole-5-carboxamide;3-amino-N-(1H-indol-5-ylmethyl)-1H-indazole-5-carboxamide;3-amino-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide;3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]-1H-indazole-5-carboxamide;3-amino-N-[1-(4-methylphenyl)ethyl]-1H-indazole-5-carboxamide;3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide;3-amino-N-[(4-methylphenyl)methyl]-1H-indazole-5-carboxamide.
| Compound Name | 3-amino-N-[[3-amino-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]indazol-5-yl]methyl]-1H-indazole-5-carboxamide;3-amino-N-[(3-ethylphenyl)methyl]-1H-indazole-5-carboxamide;3-amino-N-(1H-indol-5-ylmethyl)-1H-indazole-5-carboxamide;3-amino-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide;3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]-1H-indazole-5-carboxamide;3-amino-N-[1-(4-methylphenyl)ethyl]-1H-indazole-5-carboxamide;3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide;3-amino-N-[(4-methylphenyl)methyl]-1H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 158015167 |
| Molecular Formula | C138H142N36O10 |
| Molecular Weight | 2464.90 g/mol |
| Exact Mass | 2463.17 |
| IUPAC Name | 3-amino-N-[[3-amino-1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]indazol-5-yl]methyl]-1H-indazole-5-carboxamide;3-amino-N-[(3-ethylphenyl)methyl]-1H-indazole-5-carboxamide;3-amino-N-(1H-indol-5-ylmethyl)-1H-indazole-5-carboxamide;3-amino-N-[(3-methoxyphenyl)methyl]-1H-indazole-5-carboxamide;3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]-1H-indazole-5-carboxamide;3-amino-N-[1-(4-methylphenyl)ethyl]-1H-indazole-5-carboxamide;3-amino-N-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide;3-amino-N-[(4-methylphenyl)methyl]-1H-indazole-5-carboxamide |
| SMILES | C=C(OC(C)(C)C)n1nc(N)c2cc(CNC(=O)c3ccc4[nH]nc(N)c4c3)ccc21.CCc1cccc(CNC(=O)c2ccc3[nH]nc(N)c3c2)c1.COc1cccc(CNC(=O)c2ccc3[nH]nc(N)c3c2)c1.Cc1ccc(C(C)NC(=O)c2ccc3[nH]nc(N)c3c2)cc1.Cc1ccc(CNC(=O)c2ccc3[nH]nc(N)c3c2)cc1.Cc1cccc(CNC(=O)c2ccc3[nH]nc(N)c3c2)c1.Cc1cccc([C@@H](C)NC(=O)c2ccc3[nH]nc(N)c3c2)c1.Nc1n[nH]c2ccc(C(=O)NCc3ccc4[nH]ccc4c3)cc12 |
| InChI | InChI=1S/C22H25N7O2.C17H15N5O.3C17H18N4O.C16H16N4O2.2C16H16N4O/c1-12(31-22(2,3)4)29-18-8-5-13(9-16(18)20(24)28-29)11-25-21(30)14-6-7-17-15(10-14)19(23)27-26-17;18-16-13-8-12(2-4-15(13)21-22-16)17(23)20-9-10-1-3-14-11(7-10)5-6-19-14;1-10-3-5-12(6-4-10)11(2)19-17(22)13-7-8-15-14(9-13)16(18)21-20-15;1-10-4-3-5-12(8-10)11(2)19-17(22)13-6-7-15-14(9-13)16(18)21-20-15;1-2-11-4-3-5-12(8-11)10-19-17(22)13-6-7-15-14(9-13)16(18)21-20-15;1-22-12-4-2-3-10(7-12)9-18-16(21)11-5-6-14-13(8-11)15(17)20-19-14;1-10-2-4-11(5-3-10)9-18-16(21)12-6-7-14-13(8-12)15(17)20-19-14;1-10-3-2-4-11(7-10)9-18-16(21)12-5-6-14-13(8-12)15(17)20-19-14/h5-10H,1,11H2,2-4H3,(H2,24,28)(H,25,30)(H3,23,26,27);1-8,19H,9H2,(H,20,23)(H3,18,21,22);2*3-9,11H,1-2H3,(H,19,22)(H3,18,20,21);3-9H,2,10H2,1H3,(H,19,22)(H3,18,20,21);2-8H,9H2,1H3,(H,18,21)(H3,17,19,20);2*2-8H,9H2,1H3,(H,18,21)(H3,17,19,20)/t;;;11-;;;;/m...1..../s1 |
| InChIKey | FFJIEWAWLIQZBD-XRCHRIIISA-N |
| XLogP | 21.18 |
| TPSA | 748.49 Ų |
| H-Bond Donors | 26 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 184 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2464.90 |
| LogP ≤ 5 | 21.18 |
| H-Bond Donors ≤ 5 | 26 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'} |
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