(2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide

C85H70F11N15O5S2 — CID 159440787

About (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide

(2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide (PubChem CID 159440787) has the molecular formula C85H70F11N15O5S2 and a molecular weight of 1654.71 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide
• PubChem CID: 159440787
• Molecular Formula: C85H70F11N15O5S2
• Molecular Weight: 1654.71 g/mol
• Exact Mass: 1653.50
• IUPAC Name: (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide
• SMILES: CN1CCC[C@H]1C(=O)Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F.COC(C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1cccs1.N[C@@H](C(=O)Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)c1cccs1.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1CCNCC1
• InChI: InChI=1S/C22H17F2N3O2S.C21H15F3N4OS.2C21H19F3N4O/c1-29-21(20-3-2-10-30-20)22(28)25-19-11-15-17(26-27-18(15)12-16(19)24)9-6-13-4-7-14(23)8-5-13;22-13-5-3-11(8-14(13)23)4-6-16-12-9-18(15(24)10-17(12)28-27-16)26-21(29)20(25)19-2-1-7-30-19;1-28-8-2-3-20(28)21(29)25-19-10-13-17(26-27-18(13)11-16(19)24)7-5-12-4-6-14(22)15(23)9-12;22-15-3-1-12(9-16(15)23)2-4-18-14-10-20(17(24)11-19(14)28-27-18)26-21(29)13-5-7-25-8-6-13/h2-12,21H,1H3,(H,25,28)(H,26,27);1-10,20H,25H2,(H,26,29)(H,27,28);4-7,9-11,20H,2-3,8H2,1H3,(H,25,29)(H,26,27);1-4,9-11,13,25H,5-8H2,(H,26,29)(H,27,28)/b9-6+;6-4+;7-5+;4-2+/t;2*20-;/m.10./s1
• InChIKey: LSDKCCJSFQFOKC-YKJINPRDSA-N
• XLogP: 18.52
• TPSA: 281.64 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1654.71
LogP ≤ 5	18.52
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide?

The IUPAC name of (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide (CID 159440787) is (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide.

What is the SMILES notation for (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide?

The canonical SMILES for (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide is CN1CCC[C@H]1C(=O)Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F.COC(C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1cccs1.N[C@@H](C(=O)Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)c1cccs1.O=C(Nc1cc2c(/C=C/c3ccc(F)c(F)c3)n[nH]c2cc1F)C1CCNCC1.

What is the InChIKey of (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide?

The InChIKey is LSDKCCJSFQFOKC-YKJINPRDSA-N. The full InChI is InChI=1S/C22H17F2N3O2S.C21H15F3N4OS.2C21H19F3N4O/c1-29-21(20-3-2-10-30-20)22(28)25-19-11-15-17(26-27-18(15)12-16(19)24)9-6-13-4-7-14(23)8-5-13;22-13-5-3-11(8-14(13)23)4-6-16-12-9-18(15(24)10-17(12)28-27-16)26-21(29)20(25)19-2-1-7-30-19;1-28-8-2-3-20(28)21(29)25-19-10-13-17(26-27-18(13)11-16(19)24)7-5-12-4-6-14(22)15(23)9-12;22-15-3-1-12(9-16(15)23)2-4-18-14-10-20(17(24)11-19(14)28-27-18)26-21(29)13-5-7-25-8-6-13/h2-12,21H,1H3,(H,25,28)(H,26,27);1-10,20H,25H2,(H,26,29)(H,27,28);4-7,9-11,20H,2-3,8H2,1H3,(H,25,29)(H,26,27);1-4,9-11,13,25H,5-8H2,(H,26,29)(H,27,28)/b9-6+;6-4+;7-5+;4-2+/t;2*20-;/m.10./s1.

What are the key properties of (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide?

(2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide has a molecular weight of 1654.71 g/mol, XLogP of 18.52, 19 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;(2S)-N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]-1-methylpyrrolidine-2-carboxamide;N-[3-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoro-1H-indazol-5-yl]piperidine-4-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide is sourced from PubChem (CID 159440787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).