(2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide

C92H76F8N16O7S2 — CID 158159548

IUPAC(2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide
SMILESN[C@@H](C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1cccs1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CC(=O)N(Cc2ccco2)C1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CC(=O)N(Cc2cccs2)C1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCCNC1
InChIInChI=1S/C25H20F2N4O3.C25H20F2N4O2S.C21H16F2N4OS.C21H20F2N4O/c2*26-17-6-3-15(4-7-17)5-8-21-19-11-23(20(27)12-22(19)30-29-21)28-25(33)16-10-24(32)31(13-16)14-18-2-1-9-34-18;22-13-6-3-12(4-7-13)5-8-16-14-10-18(15(23)11-17(14)27-26-16)25-21(28)20(24)19-2-1-9-29-19;22-15-6-3-13(4-7-15)5-8-18-16-10-20(17(23)11-19(16)27-26-18)25-21(28)14-2-1-9-24-12-14/h2*1-9,11-12,16H,10,13-14H2,(H,28,33)(H,29,30);1-11,20H,24H2,(H,25,28)(H,26,27);3-8,10-11,14,24H,1-2,9,12H2,(H,25,28)(H,26,27)/b4*8-5+/t;;20-;/m..1./s1
InChIKeyFWCICEDWLQKEFT-OHNPYUGISA-N
MW1733.84 g/mol
LogP18.31
Rot. Bonds21

About (2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide

(2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide (PubChem CID 158159548) has the molecular formula C92H76F8N16O7S2 and a molecular weight of 1733.84 g/mol. Its IUPAC name is (2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide
PubChem CID158159548
Molecular FormulaC92H76F8N16O7S2
Molecular Weight1733.84 g/mol
Exact Mass1732.54
IUPAC Name(2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide
SMILESN[C@@H](C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1cccs1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CC(=O)N(Cc2ccco2)C1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CC(=O)N(Cc2cccs2)C1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCCNC1
InChIInChI=1S/C25H20F2N4O3.C25H20F2N4O2S.C21H16F2N4OS.C21H20F2N4O/c2*26-17-6-3-15(4-7-17)5-8-21-19-11-23(20(27)12-22(19)30-29-21)28-25(33)16-10-24(32)31(13-16)14-18-2-1-9-34-18;22-13-6-3-12(4-7-13)5-8-16-14-10-18(15(23)11-17(14)27-26-16)25-21(28)20(24)19-2-1-9-29-19;22-15-6-3-13(4-7-15)5-8-18-16-10-20(17(23)11-19(16)27-26-18)25-21(28)14-2-1-9-24-12-14/h2*1-9,11-12,16H,10,13-14H2,(H,28,33)(H,29,30);1-11,20H,24H2,(H,25,28)(H,26,27);3-8,10-11,14,24H,1-2,9,12H2,(H,25,28)(H,26,27)/b4*8-5+/t;;20-;/m..1./s1
InChIKeyFWCICEDWLQKEFT-OHNPYUGISA-N
XLogP18.31
TPSA322.93 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms125
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001733.84
LogP ≤ 518.31
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Analyze (2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of (2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide (CID 158159548) is (2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for (2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for (2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide is N[C@@H](C(=O)Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)c1cccs1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CC(=O)N(Cc2ccco2)C1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CC(=O)N(Cc2cccs2)C1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCCNC1.
What is the InChIKey of (2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide?
The InChIKey is FWCICEDWLQKEFT-OHNPYUGISA-N. The full InChI is InChI=1S/C25H20F2N4O3.C25H20F2N4O2S.C21H16F2N4OS.C21H20F2N4O/c2*26-17-6-3-15(4-7-17)5-8-21-19-11-23(20(27)12-22(19)30-29-21)28-25(33)16-10-24(32)31(13-16)14-18-2-1-9-34-18;22-13-6-3-12(4-7-13)5-8-16-14-10-18(15(23)11-17(14)27-26-16)25-21(28)20(24)19-2-1-9-29-19;22-15-6-3-13(4-7-15)5-8-18-16-10-20(17(23)11-19(16)27-26-18)25-21(28)14-2-1-9-24-12-14/h2*1-9,11-12,16H,10,13-14H2,(H,28,33)(H,29,30);1-11,20H,24H2,(H,25,28)(H,26,27);3-8,10-11,14,24H,1-2,9,12H2,(H,25,28)(H,26,27)/b4*8-5+/t;;20-;/m..1./s1.
What are the key properties of (2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide?
(2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide has a molecular weight of 1733.84 g/mol, XLogP of 18.31, 21 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 158159548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).