5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide
C105H76F8N20O15S2 — CID 160581229
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide
SMILESCN(C)C(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)o1.CNC(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)o1.CNC(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)o1.NC(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)o1.NC(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)o1
InChIInChI=1S/C23H18F2N4O3.C22H16F2N4O3.C21H14F2N4O3.C20H15FN4O3S.C19H13FN4O3S/c1-29(2)23(31)21-10-9-20(32-21)22(30)26-19-11-15-17(27-28-18(15)12-16(19)25)8-5-13-3-6-14(24)7-4-13;1-25-21(29)19-8-9-20(31-19)22(30)26-18-10-14-16(27-28-17(14)11-15(18)24)7-4-12-2-5-13(23)6-3-12;22-12-4-1-11(2-5-12)3-6-15-13-9-17(14(23)10-16(13)27-26-15)25-21(29)19-8-7-18(30-19)20(24)28;1-22-19(26)17-6-7-18(28-17)20(27)23-16-9-12-14(5-4-11-3-2-8-29-11)24-25-15(12)10-13(16)21;20-12-9-14-11(13(23-24-14)4-3-10-2-1-7-28-10)8-15(12)22-19(26)17-6-5-16(27-17)18(21)25/h3-12H,1-2H3,(H,26,30)(H,27,28);2-11H,1H3,(H,25,29)(H,26,30)(H,27,28);1-10H,(H2,24,28)(H,25,29)(H,26,27);2-10H,1H3,(H,22,26)(H,23,27)(H,24,25);1-9H,(H2,21,25)(H,22,26)(H,23,24)/b8-5+;7-4+;6-3+;5-4+;4-3+
InChIKeyRBUQPUVJAGDCAI-NNVYOUOUSA-N
MW2074.01 g/mol
LogP20.75
Rot. Bonds25
About 5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide
5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide (PubChem CID 160581229) has the molecular formula C105H76F8N20O15S2 and a molecular weight of 2074.01 g/mol. Its IUPAC name is 5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide.
Molecular Properties
| Compound Name | 5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide |
|---|---|
| PubChem CID | 160581229 |
| Molecular Formula | C105H76F8N20O15S2 |
| Molecular Weight | 2074.01 g/mol |
| Exact Mass | 2072.51 |
| IUPAC Name | 5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide |
| SMILES | CN(C)C(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)o1.CNC(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)o1.CNC(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)o1.NC(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)o1.NC(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)o1 |
| InChI | InChI=1S/C23H18F2N4O3.C22H16F2N4O3.C21H14F2N4O3.C20H15FN4O3S.C19H13FN4O3S/c1-29(2)23(31)21-10-9-20(32-21)22(30)26-19-11-15-17(27-28-18(15)12-16(19)25)8-5-13-3-6-14(24)7-4-13;1-25-21(29)19-8-9-20(31-19)22(30)26-18-10-14-16(27-28-17(14)11-15(18)24)7-4-12-2-5-13(23)6-3-12;22-12-4-1-11(2-5-12)3-6-15-13-9-17(14(23)10-16(13)27-26-15)25-21(29)19-8-7-18(30-19)20(24)28;1-22-19(26)17-6-7-18(28-17)20(27)23-16-9-12-14(5-4-11-3-2-8-29-11)24-25-15(12)10-13(16)21;20-12-9-14-11(13(23-24-14)4-3-10-2-1-7-28-10)8-15(12)22-19(26)17-6-5-16(27-17)18(21)25/h3-12H,1-2H3,(H,26,30)(H,27,28);2-11H,1H3,(H,25,29)(H,26,30)(H,27,28);1-10H,(H2,24,28)(H,25,29)(H,26,27);2-10H,1H3,(H,22,26)(H,23,27)(H,24,25);1-9H,(H2,21,25)(H,22,26)(H,23,24)/b8-5+;7-4+;6-3+;5-4+;4-3+ |
| InChIKey | RBUQPUVJAGDCAI-NNVYOUOUSA-N |
| XLogP | 20.75 |
| TPSA | 519.29 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 150 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2074.01 |
| LogP ≤ 5 | 20.75 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 22 |
Frequently Asked Questions
What is the IUPAC name of 5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide?
The IUPAC name of 5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide (CID 160581229) is 5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide?
The canonical SMILES for 5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide is CN(C)C(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)o1.CNC(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)o1.CNC(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)o1.NC(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)o1.NC(=O)c1ccc(C(=O)Nc2cc3c(/C=C/c4cccs4)n[nH]c3cc2F)o1.
What is the InChIKey of 5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide?
The InChIKey is RBUQPUVJAGDCAI-NNVYOUOUSA-N. The full InChI is InChI=1S/C23H18F2N4O3.C22H16F2N4O3.C21H14F2N4O3.C20H15FN4O3S.C19H13FN4O3S/c1-29(2)23(31)21-10-9-20(32-21)22(30)26-19-11-15-17(27-28-18(15)12-16(19)25)8-5-13-3-6-14(24)7-4-13;1-25-21(29)19-8-9-20(31-19)22(30)26-18-10-14-16(27-28-17(14)11-15(18)24)7-4-12-2-5-13(23)6-3-12;22-12-4-1-11(2-5-12)3-6-15-13-9-17(14(23)10-16(13)27-26-15)25-21(29)19-8-7-18(30-19)20(24)28;1-22-19(26)17-6-7-18(28-17)20(27)23-16-9-12-14(5-4-11-3-2-8-29-11)24-25-15(12)10-13(16)21;20-12-9-14-11(13(23-24-14)4-3-10-2-1-7-28-10)8-15(12)22-19(26)17-6-5-16(27-17)18(21)25/h3-12H,1-2H3,(H,26,30)(H,27,28);2-11H,1H3,(H,25,29)(H,26,30)(H,27,28);1-10H,(H2,24,28)(H,25,29)(H,26,27);2-10H,1H3,(H,22,26)(H,23,27)(H,24,25);1-9H,(H2,21,25)(H,22,26)(H,23,24)/b8-5+;7-4+;6-3+;5-4+;4-3+.
What are the key properties of 5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide?
5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide has a molecular weight of 2074.01 g/mol, XLogP of 20.75, 25 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-N,2-N-dimethylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]furan-2,5-dicarboxamide;2-N-[6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide is sourced from PubChem (CID 160581229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 160581229 — identifiers, structure, computed properties (public domain)
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