3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methyl-5-nitroindazole

C83H64F8N14O10S — CID 159398513

About 3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methyl-5-nitroindazole

3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methyl-5-nitroindazole (PubChem CID 159398513) has the molecular formula C83H64F8N14O10S and a molecular weight of 1601.56 g/mol. Its IUPAC name is 3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methyl-5-nitroindazole.

Molecular Properties

• Compound Name: 3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methyl-5-nitroindazole
• PubChem CID: 159398513
• Molecular Formula: C83H64F8N14O10S
• Molecular Weight: 1601.56 g/mol
• Exact Mass: 1600.45
• IUPAC Name: 3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methyl-5-nitroindazole
• SMILES: COc1c(C(=O)NCc2ccccn2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12.COc1c(C(=O)NCc2ccsc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12.COc1c(C(=O)NCc2ncco2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12.COc1cc(/C=C/c2nn(C)c3cc(F)c([N+](=O)[O-])cc23)ccc1F
• InChI: InChI=1S/C23H18F2N4O2.C22H17F2N3O2S.C21H16F2N4O3.C17H13F2N3O3/c1-31-22-17(23(30)27-13-16-4-2-3-11-26-16)8-10-20-21(22)19(28-29-20)9-6-14-5-7-15(24)12-18(14)25;1-29-21-16(22(28)25-11-13-8-9-30-12-13)5-7-19-20(21)18(26-27-19)6-3-14-2-4-15(23)10-17(14)24;1-29-20-14(21(28)25-11-18-24-8-9-30-18)5-7-17-19(20)16(26-27-17)6-3-12-2-4-13(22)10-15(12)23;1-21-15-9-13(19)16(22(23)24)8-11(15)14(20-21)6-4-10-3-5-12(18)17(7-10)25-2/h2-12H,13H2,1H3,(H,27,30)(H,28,29);2-10,12H,11H2,1H3,(H,25,28)(H,26,27);2-10H,11H2,1H3,(H,25,28)(H,26,27);3-9H,1-2H3/b9-6+;2*6-3+;6-4+
• InChIKey: LNAQQRJHWNTMIH-SLCJZVEQSA-N
• XLogP: 17.23
• TPSA: 310.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1601.56
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methyl-5-nitroindazole?

The IUPAC name of 3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methyl-5-nitroindazole (CID 159398513) is 3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methyl-5-nitroindazole.

What is the SMILES notation for 3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methyl-5-nitroindazole?

The canonical SMILES for 3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methyl-5-nitroindazole is COc1c(C(=O)NCc2ccccn2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12.COc1c(C(=O)NCc2ccsc2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12.COc1c(C(=O)NCc2ncco2)ccc2n[nH]c(/C=C/c3ccc(F)cc3F)c12.COc1cc(/C=C/c2nn(C)c3cc(F)c([N+](=O)[O-])cc23)ccc1F.

What is the InChIKey of 3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methyl-5-nitroindazole?

The InChIKey is LNAQQRJHWNTMIH-SLCJZVEQSA-N. The full InChI is InChI=1S/C23H18F2N4O2.C22H17F2N3O2S.C21H16F2N4O3.C17H13F2N3O3/c1-31-22-17(23(30)27-13-16-4-2-3-11-26-16)8-10-20-21(22)19(28-29-20)9-6-14-5-7-15(24)12-18(14)25;1-29-21-16(22(28)25-11-13-8-9-30-12-13)5-7-19-20(21)18(26-27-19)6-3-14-2-4-15(23)10-17(14)24;1-29-20-14(21(28)25-11-18-24-8-9-30-18)5-7-17-19(20)16(26-27-17)6-3-12-2-4-13(22)10-15(12)23;1-21-15-9-13(19)16(22(23)24)8-11(15)14(20-21)6-4-10-3-5-12(18)17(7-10)25-2/h2-12H,13H2,1H3,(H,27,30)(H,28,29);2-10,12H,11H2,1H3,(H,25,28)(H,26,27);2-10H,11H2,1H3,(H,25,28)(H,26,27);3-9H,1-2H3/b9-6+;2*6-3+;6-4+.

What are the key properties of 3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methyl-5-nitroindazole?

3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methyl-5-nitroindazole has a molecular weight of 1601.56 g/mol, XLogP of 17.23, 22 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,4-difluorophenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-1-methyl-5-nitroindazole is sourced from PubChem (CID 159398513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).