C99H84FN15O14S4 — CID 158221710
N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide;N-cyclopropyl-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)methanesulfonamide;N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide;6-methoxy-3-naphthalen-2-yl-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide (PubChem CID 158221710) has the molecular formula C99H84FN15O14S4 and a molecular weight of 1855.12 g/mol. Its IUPAC name is N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide;N-cyclopropyl-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)methanesulfonamide;N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide;6-methoxy-3-naphthalen-2-yl-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide.
| Compound Name | N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide;N-cyclopropyl-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)methanesulfonamide;N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide;6-methoxy-3-naphthalen-2-yl-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 158221710 |
| Molecular Formula | C99H84FN15O14S4 |
| Molecular Weight | 1855.12 g/mol |
| Exact Mass | 1853.52 |
| IUPAC Name | N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide;N-cyclopropyl-6-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)methanesulfonamide;N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide;6-methoxy-3-naphthalen-2-yl-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide |
| SMILES | COc1c(NS(C)(=O)=O)ccc2[nH]nc(-c3cc4ccccc4s3)c12.COc1c(NS(C)(=O)=O)ccc2[nH]nc(-c3ccc4ccccc4c3)c12.COc1cc2[nH]nc(-c3ccc4ccccc4c3)c2cc1C(=O)NC1CC1.COc1cc2[nH]nc(-c3ccc4ccccc4c3)c2cc1C(=O)N[C@@H]1CCOC1=O.CS(=O)(=O)Nc1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1 |
| InChI | InChI=1S/C23H19N3O4.C22H19N3O2.C19H17N3O3S.C18H14FN3O2S.C17H15N3O3S2/c1-29-20-12-19-16(11-17(20)22(27)24-18-8-9-30-23(18)28)21(26-25-19)15-7-6-13-4-2-3-5-14(13)10-15;1-27-20-12-19-17(11-18(20)22(26)23-16-8-9-16)21(25-24-19)15-7-6-13-4-2-3-5-14(13)10-15;1-25-19-16(22-26(2,23)24)10-9-15-17(19)18(21-20-15)14-8-7-12-5-3-4-6-13(12)11-14;1-25(23,24)22-14-9-15-17(20-21-18(15)16(19)10-14)13-7-6-11-4-2-3-5-12(11)8-13;1-23-17-12(20-25(2,21)22)8-7-11-15(17)16(19-18-11)14-9-10-5-3-4-6-13(10)24-14/h2-7,10-12,18H,8-9H2,1H3,(H,24,27)(H,25,26);2-7,10-12,16H,8-9H2,1H3,(H,23,26)(H,24,25);3-11,22H,1-2H3,(H,20,21);2-10,22H,1H3,(H,20,21);3-9,20H,1-2H3,(H,18,19)/t18-;;;;/m1..../s1 |
| InChIKey | GDHZJPWPYDFTDO-HHVPYRKWSA-N |
| XLogP | 19.20 |
| TPSA | 403.33 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 133 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1855.12 |
| LogP ≤ 5 | 19.20 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 20 |