(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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide

C113H96F10N20O8S2 — CID 160654299

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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-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.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCNCC1
InChIInChI=1S/C25H20F2N4O3.C25H20F2N4O2S.C21H16F2N4OS.2C21H20F2N4O/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;22-15-4-1-13(2-5-15)3-6-18-16-11-20(17(23)12-19(16)27-26-18)25-21(28)14-7-9-24-10-8-14;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);1-6,11-12,14,24H,7-10H2,(H,25,28)(H,26,27);3-8,10-11,14,24H,1-2,9,12H2,(H,25,28)(H,26,27)/b3*8-5+;6-3+;8-5+/t;;20-;;/m..1../s1
InChIKeyRKVMKXFGTHUBSA-UPNQDTEISA-N
MW2116.26 g/mol
LogP22.26
Rot. Bonds25

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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide (PubChem CID 160654299) has the molecular formula C113H96F10N20O8S2 and a molecular weight of 2116.26 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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide
PubChem CID160654299
Molecular FormulaC113H96F10N20O8S2
Molecular Weight2116.26 g/mol
Exact Mass2114.70
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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-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.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCNCC1
InChIInChI=1S/C25H20F2N4O3.C25H20F2N4O2S.C21H16F2N4OS.2C21H20F2N4O/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;22-15-4-1-13(2-5-15)3-6-18-16-11-20(17(23)12-19(16)27-26-18)25-21(28)14-7-9-24-10-8-14;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);1-6,11-12,14,24H,7-10H2,(H,25,28)(H,26,27);3-8,10-11,14,24H,1-2,9,12H2,(H,25,28)(H,26,27)/b3*8-5+;6-3+;8-5+/t;;20-;;/m..1../s1
InChIKeyRKVMKXFGTHUBSA-UPNQDTEISA-N
XLogP22.26
TPSA392.74 Ų
H-Bond Donors13
H-Bond Acceptors18
Rotatable Bonds25
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002116.26
LogP ≤ 522.26
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1018

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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-1-[(2,4-difluorophenyl)methyl]piperidine-4-carboxamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide;(2S)-N-[3-(3-ethoxyphenyl)-1H-indazol-5-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;[3-(3-fluorophenyl)-1H-indazol-5-yl]-morpholin-4-ylmethanone;methyl 3-[[4-[(3-naphthalen-1-yl-1H-indazol-5-yl)carbamoyl]piperidin-1-yl]methyl]benzoate;N-(3-naphthalen-2-yl-1H-indazol-5-yl)piperidine-4-carboxamide
CID 158434466
4-amino-N-(4-amino-3-ethanimidoylphenyl)-2-thiophen-3-ylbutanamide;4-amino-2-(2-fluorophenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide;4-amino-2-(furan-2-yl)-N-(1H-indazol-5-yl)butanamide;(2R)-4-amino-N-(3-methyl-2H-indazol-5-yl)-2-phenylbutanamide;(2S)-4-amino-N-(3-methyl-2H-indazol-5-yl)-2-phenylbutanamide;4-(benzylamino)-2-(2-fluorophenyl)-N-(1H-indazol-5-yl)butanamide;4-(benzylamino)-4-(2-fluorophenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
CID 157472739
6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-amine;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropanecarboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]furan-2-carboxamide;(2S)-N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[6-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 157721259
5-(furan-2-carbonylamino)-N-phenyl-1H-indazole-3-carboxamide;5-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-N-phenyl-1H-indazole-3,5-dicarboxamide;5-(methanesulfonamido)-N-phenyl-1H-indazole-3-carboxamide;N-phenyl-5-[(2-thiophen-2-ylacetyl)amino]-1H-indazole-3-carboxamide
CID 157737869
N-(2-acetamidoethyl)-3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 157942684
N-(2-acetamidoethyl)-3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxamide;N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(1-benzofuran-2-yl)-4-fluoro-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 157942685
(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
N-cyclopropyl-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxylic acid
CID 158175835
N-cyclopropyl-4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-1H-indazole-5-carboxylic acid;4-fluoro-3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 158227675
4-amino-2-(2-fluorophenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide;4-amino-2-(furan-2-yl)-N-(1H-indazol-5-yl)butanamide;(2R)-4-amino-N-(3-methyl-2H-indazol-5-yl)-2-phenylbutanamide;(2S)-4-amino-N-(3-methyl-2H-indazol-5-yl)-2-phenylbutanamide;4-amino-N-(3-methyl-2H-indazol-5-yl)-2-thiophen-3-ylbutanamide;4-(benzylamino)-2-(2-fluorophenyl)-N-(1H-indazol-5-yl)butanamide;4-(benzylamino)-4-(2-fluorophenyl)-N-(3-methyl-2H-indazol-5-yl)butanamide
CID 158248282
N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]furan-2-carboxamide;N-[[5-[(4-amino-2-phenylbutanoyl)amino]-2H-indazol-3-yl]methyl]benzamide;N-[5-[[(2S)-4-amino-2-phenylbutanoyl]amino]-1H-indazol-3-yl]thiophene-2-carboxamide;N-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl]thiophene-2-carboxamide;5-[(4-amino-2-phenylbutanoyl)amino]-N-phenyl-1H-indazole-3-carboxamide
CID 158570025
N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-3-methoxypropanamide;N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide;N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]cyclopropanecarboxamide;(2R)-N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 158733967

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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide (CID 160654299) 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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-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.O=C(Nc1cc2c(/C=C/c3ccc(F)cc3)n[nH]c2cc1F)C1CCNCC1.
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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide?
The InChIKey is RKVMKXFGTHUBSA-UPNQDTEISA-N. The full InChI is InChI=1S/C25H20F2N4O3.C25H20F2N4O2S.C21H16F2N4OS.2C21H20F2N4O/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;22-15-4-1-13(2-5-15)3-6-18-16-11-20(17(23)12-19(16)27-26-18)25-21(28)14-7-9-24-10-8-14;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);1-6,11-12,14,24H,7-10H2,(H,25,28)(H,26,27);3-8,10-11,14,24H,1-2,9,12H2,(H,25,28)(H,26,27)/b3*8-5+;6-3+;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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide has a molecular weight of 2116.26 g/mol, XLogP of 22.26, 25 rotatable bonds, 13 hydrogen bond donors, and 18 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;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 160654299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).