C110H84F12N20O10S2 — CID 158656402
N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-3-ylacetamide (PubChem CID 158656402) has the molecular formula C110H84F12N20O10S2 and a molecular weight of 2138.12 g/mol. Its IUPAC name is N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-3-ylacetamide.
| Compound Name | N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-3-ylacetamide |
|---|---|
| PubChem CID | 158656402 |
| Molecular Formula | C110H84F12N20O10S2 |
| Molecular Weight | 2138.12 g/mol |
| Exact Mass | 2136.59 |
| IUPAC Name | N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-3-ylacetamide |
| SMILES | O=C(Cc1cccs1)Nc1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(Cc1ccsc1)Nc1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1.O=C(Nc1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1)C1CCCO1.O=C(Nc1cc(F)c2n[nH]c(-c3cccc(F)c3)c2c1)C1CCOC1.O=C1CC[C@@H](C(=O)Nc2cc(F)c3n[nH]c(-c4cccc(F)c4)c3c2)N1.O=C1CC[C@H](C(=O)Nc2cc(F)c3n[nH]c(-c4cccc(F)c4)c3c2)N1 |
| InChI | InChI=1S/2C19H13F2N3OS.2C18H14F2N4O2.2C18H15F2N3O2/c20-12-4-1-3-11(7-12)18-15-8-13(9-16(21)19(15)24-23-18)22-17(25)10-14-5-2-6-26-14;20-13-3-1-2-12(7-13)18-15-8-14(9-16(21)19(15)24-23-18)22-17(25)6-11-4-5-26-10-11;2*19-10-3-1-2-9(6-10)16-12-7-11(8-13(20)17(12)24-23-16)21-18(26)14-4-5-15(25)22-14;19-11-4-1-3-10(7-11)16-13-8-12(9-14(20)17(13)23-22-16)21-18(24)15-5-2-6-25-15;19-12-3-1-2-10(6-12)16-14-7-13(8-15(20)17(14)23-22-16)21-18(24)11-4-5-25-9-11/h1-9H,10H2,(H,22,25)(H,23,24);1-5,7-10H,6H2,(H,22,25)(H,23,24);2*1-3,6-8,14H,4-5H2,(H,21,26)(H,22,25)(H,23,24);1,3-4,7-9,15H,2,5-6H2,(H,21,24)(H,22,23);1-3,6-8,11H,4-5,9H2,(H,21,24)(H,22,23)/t;;2*14-;;/m..10../s1 |
| InChIKey | ICEQPUWHQLRXAS-SGJPMZNBSA-N |
| XLogP | 22.06 |
| TPSA | 423.34 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2138.12 |
| LogP ≤ 5 | 22.06 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 18 |