C111H93N15O18 — CID 157456494
3-(1-benzofuran-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide (PubChem CID 157456494) has the molecular formula C111H93N15O18 and a molecular weight of 1925.05 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide.
| Compound Name | 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 157456494 |
| Molecular Formula | C111H93N15O18 |
| Molecular Weight | 1925.05 g/mol |
| Exact Mass | 1923.68 |
| IUPAC Name | 3-(1-benzofuran-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide |
| SMILES | COc1c(C(=O)NC2CC2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)NCC2CC2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)NCc2ccc(C)o2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1cccc(CNC(=O)c2ccc3n[nH]c(-c4cc5ccccc5o4)c3c2OC)c1 |
| InChI | InChI=1S/C25H21N3O4.C23H19N3O4.C22H17N3O4.C21H19N3O3.C20H17N3O3/c1-30-17-8-5-6-15(12-17)14-26-25(29)18-10-11-19-22(24(18)31-2)23(28-27-19)21-13-16-7-3-4-9-20(16)32-21;1-13-7-8-15(29-13)12-24-23(27)16-9-10-17-20(22(16)28-2)21(26-25-17)19-11-14-5-3-4-6-18(14)30-19;1-27-21-15(22(26)23-12-14-6-4-10-28-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)29-18;1-26-20-14(21(25)22-11-12-6-7-12)8-9-15-18(20)19(24-23-15)17-10-13-4-2-3-5-16(13)27-17;1-25-19-13(20(24)21-12-6-7-12)8-9-14-17(19)18(23-22-14)16-10-11-4-2-3-5-15(11)26-16/h3-13H,14H2,1-2H3,(H,26,29)(H,27,28);3-11H,12H2,1-2H3,(H,24,27)(H,25,26);2-11H,12H2,1H3,(H,23,26)(H,24,25);2-5,8-10,12H,6-7,11H2,1H3,(H,22,25)(H,23,24);2-5,8-10,12H,6-7H2,1H3,(H,21,24)(H,22,23) |
| InChIKey | BTKKTGDPMCIGIT-UHFFFAOYSA-N |
| XLogP | 22.25 |
| TPSA | 436.26 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 144 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1925.05 |
| LogP ≤ 5 | 22.25 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 23 |