1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide

C80H70F8N14O6S — CID 159810085

IUPAC1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide
SMILESNC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CCCC1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCCO1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCCO1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)[C@@H]1CSCN1
InChIInChI=1S/C21H20F2N4O.2C20H17F2N3O2.C19H16F2N4OS/c22-14-6-3-13(4-7-14)5-8-17-15-11-19(16(23)12-18(15)27-26-17)25-20(28)21(24)9-1-2-10-21;2*21-13-6-3-12(4-7-13)5-8-16-14-10-18(15(22)11-17(14)25-24-16)23-20(26)19-2-1-9-27-19;20-12-4-1-11(2-5-12)3-6-15-13-7-17(14(21)8-16(13)25-24-15)23-19(26)18-9-27-10-22-18/h3-8,11-12H,1-2,9-10,24H2,(H,25,28)(H,26,27);2*3-8,10-11,19H,1-2,9H2,(H,23,26)(H,24,25);1-8,18,22H,9-10H2,(H,23,26)(H,24,25)/b3*8-5+;6-3+/t;;;18-/m...0/s1
InChIKeyNKXJGNVUWFVCHP-BYIVLZNRSA-N
MW1507.58 g/mol
LogP16.09
Rot. Bonds16

About 1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide

1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide (PubChem CID 159810085) has the molecular formula C80H70F8N14O6S and a molecular weight of 1507.58 g/mol. Its IUPAC name is 1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide
PubChem CID159810085
Molecular FormulaC80H70F8N14O6S
Molecular Weight1507.58 g/mol
Exact Mass1506.52
IUPAC Name1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide
SMILESNC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CCCC1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCCO1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCCO1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)[C@@H]1CSCN1
InChIInChI=1S/C21H20F2N4O.2C20H17F2N3O2.C19H16F2N4OS/c22-14-6-3-13(4-7-14)5-8-17-15-11-19(16(23)12-18(15)27-26-17)25-20(28)21(24)9-1-2-10-21;2*21-13-6-3-12(4-7-13)5-8-16-14-10-18(15(22)11-17(14)25-24-16)23-20(26)19-2-1-9-27-19;20-12-4-1-11(2-5-12)3-6-15-13-7-17(14(21)8-16(13)25-24-15)23-19(26)18-9-27-10-22-18/h3-8,11-12H,1-2,9-10,24H2,(H,25,28)(H,26,27);2*3-8,10-11,19H,1-2,9H2,(H,23,26)(H,24,25);1-8,18,22H,9-10H2,(H,23,26)(H,24,25)/b3*8-5+;6-3+/t;;;18-/m...0/s1
InChIKeyNKXJGNVUWFVCHP-BYIVLZNRSA-N
XLogP16.09
TPSA287.63 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001507.58
LogP ≤ 516.09
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Analyze 1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(2R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrrolidine-2-carboxamide;(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide
CID 158047373
N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]cyclopropanecarboxamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]oxolane-2-carboxamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]oxolane-3-carboxamide;(2S)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 158383211
N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]oxolane-3-carboxamide;(2S)-N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]-2-thiophen-3-ylacetamide
CID 158656402
(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
N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxooxolane-2-carboxamide;(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-oxo-1,3-thiazolidine-4-carboxamide;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrrolidine-2-carboxamide;(2R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrrolidine-2-carboxamide
CID 160205564
1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxooxolane-2-carboxamide;(2S)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrrolidine-2-carboxamide;(2R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]pyrrolidine-2-carboxamide;(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide
CID 160347205
N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)oxolane-2-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)oxolane-3-carboxamide;(2S)-N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-5-oxopyrrolidine-2-carboxamide;(2R)-N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-5-oxopyrrolidine-2-carboxamide;N-(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)-2-thiophen-3-ylacetamide
CID 161360087
2-acetamido-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;2-(dimethylamino)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]acetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxyacetamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-(methylamino)acetamide
CID 161572279
(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-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]azetidine-3-carboxamide;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-methoxy-2-thiophen-2-ylacetamide
CID 161654531

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide (CID 159810085) is 1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide is NC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CCCC1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCCO1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCCO1.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)[C@@H]1CSCN1.
What is the InChIKey of 1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is NKXJGNVUWFVCHP-BYIVLZNRSA-N. The full InChI is InChI=1S/C21H20F2N4O.2C20H17F2N3O2.C19H16F2N4OS/c22-14-6-3-13(4-7-14)5-8-17-15-11-19(16(23)12-18(15)27-26-17)25-20(28)21(24)9-1-2-10-21;2*21-13-6-3-12(4-7-13)5-8-16-14-10-18(15(22)11-17(14)25-24-16)23-20(26)19-2-1-9-27-19;20-12-4-1-11(2-5-12)3-6-15-13-7-17(14(21)8-16(13)25-24-15)23-19(26)18-9-27-10-22-18/h3-8,11-12H,1-2,9-10,24H2,(H,25,28)(H,26,27);2*3-8,10-11,19H,1-2,9H2,(H,23,26)(H,24,25);1-8,18,22H,9-10H2,(H,23,26)(H,24,25)/b3*8-5+;6-3+/t;;;18-/m...0/s1.
What are the key properties of 1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide?
1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 1507.58 g/mol, XLogP of 16.09, 16 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopentane-1-carboxamide;bis(N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]oxolane-2-carboxamide);(4R)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 159810085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).