N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

C81H59F12N13O6S — CID 159105227

About N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 159105227) has the molecular formula C81H59F12N13O6S and a molecular weight of 1570.49 g/mol. Its IUPAC name is N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
• PubChem CID: 159105227
• Molecular Formula: C81H59F12N13O6S
• Molecular Weight: 1570.49 g/mol
• Exact Mass: 1569.42
• IUPAC Name: N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
• SMILES: CNC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)c(F)c4)n[nH]c3cc2F)CC1.O=C(Cc1cccs1)Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1CCOC1.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)c1ccco1
• InChI: InChI=1S/C21H14F3N3OS.C20H17F3N4O.C20H16F3N3O2.C20H12F3N3O2/c22-15-5-3-12(8-16(15)23)4-6-18-14-10-20(17(24)11-19(14)27-26-18)25-21(28)9-13-2-1-7-29-13;1-24-20(6-7-20)19(28)25-18-9-12-16(26-27-17(12)10-15(18)23)5-3-11-2-4-13(21)14(22)8-11;21-14-3-1-11(7-15(14)22)2-4-17-13-8-19(16(23)9-18(13)26-25-17)24-20(27)12-5-6-28-10-12;21-13-5-3-11(8-14(13)22)4-6-16-12-9-18(15(23)10-17(12)26-25-16)24-20(27)19-2-1-7-28-19/h1-8,10-11H,9H2,(H,25,28)(H,26,27);2-5,8-10,24H,6-7H2,1H3,(H,25,28)(H,26,27);1-4,7-9,12H,5-6,10H2,(H,24,27)(H,25,26);1-10H,(H,24,27)(H,25,26)/b6-4+;5-3+;4-2+;6-4+
• InChIKey: KDUKNDPXRUBZGZ-WSJGOWHYSA-N
• XLogP: 18.36
• TPSA: 265.52 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1570.49
LogP ≤ 5	18.36
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (CID 159105227) is N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is CNC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)c(F)c4)n[nH]c3cc2F)CC1.O=C(Cc1cccs1)Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1CCOC1.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)c1ccco1.

What is the InChIKey of N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?

The InChIKey is KDUKNDPXRUBZGZ-WSJGOWHYSA-N. The full InChI is InChI=1S/C21H14F3N3OS.C20H17F3N4O.C20H16F3N3O2.C20H12F3N3O2/c22-15-5-3-12(8-16(15)23)4-6-18-14-10-20(17(24)11-19(14)27-26-18)25-21(28)9-13-2-1-7-29-13;1-24-20(6-7-20)19(28)25-18-9-12-16(26-27-17(12)10-15(18)23)5-3-11-2-4-13(21)14(22)8-11;21-14-3-1-11(7-15(14)22)2-4-17-13-8-19(16(23)9-18(13)26-25-17)24-20(27)12-5-6-28-10-12;21-13-5-3-11(8-14(13)22)4-6-16-12-9-18(15(23)10-17(12)26-25-16)24-20(27)19-2-1-7-28-19/h1-8,10-11H,9H2,(H,25,28)(H,26,27);2-5,8-10,24H,6-7H2,1H3,(H,25,28)(H,26,27);1-4,7-9,12H,5-6,10H2,(H,24,27)(H,25,26);1-10H,(H,24,27)(H,25,26)/b6-4+;5-3+;4-2+;6-4+.

What are the key properties of N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?

N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 1570.49 g/mol, XLogP of 18.36, 18 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-(methylamino)cyclopropane-1-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]oxolane-3-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 159105227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).