C110H86F3N15O8S2 — CID 158192964
N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)oxolane-2-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-2-thiophen-2-ylacetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-2-thiophen-3-ylacetamide;N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)cyclopropanecarboxamide (PubChem CID 158192964) has the molecular formula C110H86F3N15O8S2 and a molecular weight of 1867.12 g/mol. Its IUPAC name is N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)oxolane-2-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-2-thiophen-2-ylacetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-2-thiophen-3-ylacetamide;N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)cyclopropanecarboxamide.
| Compound Name | N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)oxolane-2-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-2-thiophen-2-ylacetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-2-thiophen-3-ylacetamide;N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)cyclopropanecarboxamide |
|---|---|
| PubChem CID | 158192964 |
| Molecular Formula | C110H86F3N15O8S2 |
| Molecular Weight | 1867.12 g/mol |
| Exact Mass | 1865.62 |
| IUPAC Name | N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)oxolane-2-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-2-thiophen-2-ylacetamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-2-thiophen-3-ylacetamide;N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(4-methoxy-3-naphthalen-2-yl-1H-indazol-5-yl)cyclopropanecarboxamide |
| SMILES | COc1c(NC(=O)C2CC2)ccc2[nH]nc(-c3ccc4ccccc4c3)c12.COc1c(NC(C)=O)ccc2[nH]nc(-c3ccc4ccccc4c3)c12.O=C(Cc1cccs1)Nc1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1.O=C(Cc1ccsc1)Nc1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1.O=C(Nc1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1)C1CCCO1 |
| InChI | InChI=1S/2C23H16FN3OS.C22H18FN3O2.C22H19N3O2.C20H17N3O2/c24-20-12-17(25-21(28)13-18-6-3-9-29-18)11-19-22(26-27-23(19)20)16-8-7-14-4-1-2-5-15(14)10-16;24-20-12-18(25-21(28)9-14-7-8-29-13-14)11-19-22(26-27-23(19)20)17-6-5-15-3-1-2-4-16(15)10-17;23-18-12-16(24-22(27)19-6-3-9-28-19)11-17-20(25-26-21(17)18)15-8-7-13-4-1-2-5-14(13)10-15;1-27-21-18(23-22(26)14-7-8-14)11-10-17-19(21)20(25-24-17)16-9-6-13-4-2-3-5-15(13)12-16;1-12(24)21-17-10-9-16-18(20(17)25-2)19(23-22-16)15-8-7-13-5-3-4-6-14(13)11-15/h1-12H,13H2,(H,25,28)(H,26,27);1-8,10-13H,9H2,(H,25,28)(H,26,27);1-2,4-5,7-8,10-12,19H,3,6,9H2,(H,24,27)(H,25,26);2-6,9-12,14H,7-8H2,1H3,(H,23,26)(H,24,25);3-11H,1-2H3,(H,21,24)(H,22,23) |
| InChIKey | FZZKFIKXHKHGRP-UHFFFAOYSA-N |
| XLogP | 25.26 |
| TPSA | 316.59 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 138 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1867.12 |
| LogP ≤ 5 | 25.26 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 15 |