C113H83F6N19O11S7 — CID 159723218
N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]methanesulfonamide;N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]oxolane-2-carboxamide;(2S)-N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide (PubChem CID 159723218) has the molecular formula C113H83F6N19O11S7 and a molecular weight of 2221.49 g/mol. Its IUPAC name is N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]methanesulfonamide;N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]oxolane-2-carboxamide;(2S)-N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide.
| Compound Name | N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]methanesulfonamide;N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]oxolane-2-carboxamide;(2S)-N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide |
|---|---|
| PubChem CID | 159723218 |
| Molecular Formula | C113H83F6N19O11S7 |
| Molecular Weight | 2221.49 g/mol |
| Exact Mass | 2219.45 |
| IUPAC Name | N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]cyclopropanecarboxamide;N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]methanesulfonamide;N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]oxolane-2-carboxamide;(2S)-N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-(4-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide |
| SMILES | CS(=O)(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F.CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F.O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F)C1CC1.O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F)C1CCCO1.O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F)c1ccco1.O=C1CC[C@@H](C(=O)Nc2ccc3[nH]nc(-c4cc5ccccc5s4)c3c2F)N1 |
| InChI | InChI=1S/C20H15FN4O2S.C20H16FN3O2S.C20H12FN3O2S.C19H14FN3OS.C18H14FN3O2S.C16H12FN3O2S2/c21-18-12(23-20(27)13-7-8-16(26)22-13)6-5-11-17(18)19(25-24-11)15-9-10-3-1-2-4-14(10)28-15;2*21-18-13(22-20(25)14-5-3-9-26-14)8-7-12-17(18)19(24-23-12)16-10-11-4-1-2-6-15(11)27-16;20-17-13(21-19(24)10-5-6-10)8-7-12-16(17)18(23-22-12)15-9-11-3-1-2-4-14(11)25-15;1-25(23,24)22-15-9-8-14-16(17(15)19)18(21-20-14)13-7-6-11-4-2-3-5-12(11)10-13;1-24(21,22)20-11-7-6-10-14(15(11)17)16(19-18-10)13-8-9-4-2-3-5-12(9)23-13/h1-6,9,13H,7-8H2,(H,22,26)(H,23,27)(H,24,25);1-2,4,6-8,10,14H,3,5,9H2,(H,22,25)(H,23,24);1-10H,(H,22,25)(H,23,24);1-4,7-10H,5-6H2,(H,21,24)(H,22,23);2-10,22H,1H3,(H,20,21);2-8,20H,1H3,(H,18,19)/t13-;;;;;/m0...../s1 |
| InChIKey | NAHPKXHXISNBKA-VFZNITTPSA-N |
| XLogP | 26.71 |
| TPSA | 432.29 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2221.49 |
| LogP ≤ 5 | 26.71 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 22 |