C107H80F2N16O10S6 — CID 159302766
3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 159302766) has the molecular formula C107H80F2N16O10S6 and a molecular weight of 1980.32 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.
| Compound Name | 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 159302766 |
| Molecular Formula | C107H80F2N16O10S6 |
| Molecular Weight | 1980.32 g/mol |
| Exact Mass | 1978.45 |
| IUPAC Name | 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide |
| SMILES | COc1c(C(=O)NCc2ccccn2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)NCc2ccoc2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.O=C(NC1CC1)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F.O=C(NCc1ccco1)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F |
| InChI | InChI=1S/C23H18N4O2S.C22H17N3O3S.C22H17N3O2S2.C21H14FN3O2S.C19H14FN3OS/c1-29-22-16(23(28)25-13-15-7-4-5-11-24-15)9-10-17-20(22)21(27-26-17)19-12-14-6-2-3-8-18(14)30-19;1-27-21-15(22(26)23-11-13-8-9-28-12-13)6-7-16-19(21)20(25-24-16)18-10-14-4-2-3-5-17(14)29-18;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;22-19-14(21(26)23-11-13-5-3-9-27-13)7-8-15-18(19)20(25-24-15)17-10-12-4-1-2-6-16(12)28-17;20-17-12(19(24)21-11-5-6-11)7-8-13-16(17)18(23-22-13)15-9-10-3-1-2-4-14(10)25-15/h2-12H,13H2,1H3,(H,25,28)(H,26,27);2-10,12H,11H2,1H3,(H,23,26)(H,24,25);2-11H,12H2,1H3,(H,23,26)(H,24,25);1-10H,11H2,(H,23,26)(H,24,25);1-4,7-9,11H,5-6H2,(H,21,24)(H,22,23) |
| InChIKey | LBNRZVJISZZPLQ-UHFFFAOYSA-N |
| XLogP | 24.78 |
| TPSA | 355.76 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 141 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1980.32 |
| LogP ≤ 5 | 24.78 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 22 |