N-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide

C112H93F6N19O11S6 — CID 158733253

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F.C[C@H](NC(=O)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F)C(N)=O.Cn1nc(/C=C/c2cccs2)c2cc(C(=O)O)c(F)cc21.O=C(NCc1cccnc1)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F.O=C(NCc1ccco1)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F.O=C(N[C@H](CO)c1ccccc1)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F
InChIInChI=1S/C22H18FN3O2S.C20H15FN4OS.C19H14FN3O2S.C19H20FN3O2S.C17H15FN4O2S.C15H11FN2O2S/c23-18-12-20-17(19(25-26-20)9-8-15-7-4-10-29-15)11-16(18)22(28)24-21(13-27)14-5-2-1-3-6-14;21-17-10-19-16(18(24-25-19)6-5-14-4-2-8-27-14)9-15(17)20(26)23-12-13-3-1-7-22-11-13;20-16-10-18-15(17(22-23-18)6-5-13-4-2-8-26-13)9-14(16)19(24)21-11-12-3-1-7-25-12;1-11(2)18(10-24)21-19(25)13-8-14-16(6-5-12-4-3-7-26-12)22-23-17(14)9-15(13)20;1-9(16(19)23)20-17(24)11-7-12-14(5-4-10-3-2-6-25-10)21-22-15(12)8-13(11)18;1-18-14-8-12(16)10(15(19)20)7-11(14)13(17-18)5-4-9-3-2-6-21-9/h1-12,21,27H,13H2,(H,24,28)(H,25,26);1-11H,12H2,(H,23,26)(H,24,25);1-10H,11H2,(H,21,24)(H,22,23);3-9,11,18,24H,10H2,1-2H3,(H,21,25)(H,22,23);2-9H,1H3,(H2,19,23)(H,20,24)(H,21,22);2-8H,1H3,(H,19,20)/b9-8+;3*6-5+;2*5-4+/t21-;;;18-;9-;/m1..10./s1
InChIKeyILIYYYBXWVIWHT-MULBQLJVSA-N
MW2187.49 g/mol
LogP22.97
Rot. Bonds30

About N-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide (PubChem CID 158733253) has the molecular formula C112H93F6N19O11S6 and a molecular weight of 2187.49 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide
PubChem CID158733253
Molecular FormulaC112H93F6N19O11S6
Molecular Weight2187.49 g/mol
Exact Mass2185.55
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F.C[C@H](NC(=O)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F)C(N)=O.Cn1nc(/C=C/c2cccs2)c2cc(C(=O)O)c(F)cc21.O=C(NCc1cccnc1)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F.O=C(NCc1ccco1)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F.O=C(N[C@H](CO)c1ccccc1)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F
InChIInChI=1S/C22H18FN3O2S.C20H15FN4OS.C19H14FN3O2S.C19H20FN3O2S.C17H15FN4O2S.C15H11FN2O2S/c23-18-12-20-17(19(25-26-20)9-8-15-7-4-10-29-15)11-16(18)22(28)24-21(13-27)14-5-2-1-3-6-14;21-17-10-19-16(18(24-25-19)6-5-14-4-2-8-27-14)9-15(17)20(26)23-12-13-3-1-7-22-11-13;20-16-10-18-15(17(22-23-18)6-5-13-4-2-8-26-13)9-14(16)19(24)21-11-12-3-1-7-25-12;1-11(2)18(10-24)21-19(25)13-8-14-16(6-5-12-4-3-7-26-12)22-23-17(14)9-15(13)20;1-9(16(19)23)20-17(24)11-7-12-14(5-4-10-3-2-6-25-10)21-22-15(12)8-13(11)18;1-18-14-8-12(16)10(15(19)20)7-11(14)13(17-18)5-4-9-3-2-6-21-9/h1-12,21,27H,13H2,(H,24,28)(H,25,26);1-11H,12H2,(H,23,26)(H,24,25);1-10H,11H2,(H,21,24)(H,22,23);3-9,11,18,24H,10H2,1-2H3,(H,21,25)(H,22,23);2-9H,1H3,(H2,19,23)(H,20,24)(H,21,22);2-8H,1H3,(H,19,20)/b9-8+;3*6-5+;2*5-4+/t21-;;;18-;9-;/m1..10./s1
InChIKeyILIYYYBXWVIWHT-MULBQLJVSA-N
XLogP22.97
TPSA453.60 Ų
H-Bond Donors14
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002187.49
LogP ≤ 522.97
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1024

Analyze N-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide with MolForge

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Related Compounds

3-(1-benzothiophen-3-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;3-(3-chlorophenyl)-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide;N-(pyridin-3-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1H-indazole-5-carboxamide
CID 157960521
1-(2-amino-2-oxoethyl)-3-[3-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]pyrazole-5-carboxamide;3-[3-(1-benzothiophen-7-yl)phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxamide;3-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-1H-pyrazole-5-carboxylic acid;3-[3-(2-phenylphenyl)phenyl]-1H-pyrazole-5-carboxamide;3-(3-pyridin-4-ylphenyl)-1H-pyrazole-5-carboxamide
CID 158276481
N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(diethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3,3-difluoroazetidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
CID 160482393
1-[3-(1,3-benzothiazol-6-yl)-1H-isoindol-5-yl]-2-[(3R,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;N-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(hydroxymethyl)piperidin-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide;methyl (2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[(3-pyridin-4-yl-1H-indazole-5-carbonyl)amino]piperidine-2-carboxylate
CID 161418689
N-cyclopropyl-4-methoxy-3-[(E)-2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxylic acid;methyl 4-methoxy-3-[(E)-2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxylate
CID 157157765
N-cyclopropyl-3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(6-fluoro-3-pyridinyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(1,3-thiazol-2-yl)ethenyl]-2H-indazole-5-carboxamide
CID 157176044
N-(cyclopropylmethyl)-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide
CID 157377219
N-cyclopropyl-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 157442797
N-cyclopropyl-4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;4-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide;4-fluoro-3-iodo-1-methylindazole-5-carbonitrile;4-fluoro-3-[(Z)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carbonitrile;4-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxylic acid
CID 157557845
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;tert-butyl N-[6-fluoro-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazol-5-yl]carbamate;6-fluoro-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide;6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-5-amine
CID 157644223
ethyl 3-[(E)-2-(3,4-difluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-3-ylmethyl)-2H-indazole-5-carboxamide
CID 157649188
(2S,4R)-N-[6-fluoro-3-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-indazol-5-yl]-4-hydroxypyrrolidine-2-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 157690644

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide (CID 158733253) is N-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide is CC(C)[C@@H](CO)NC(=O)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F.C[C@H](NC(=O)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F)C(N)=O.Cn1nc(/C=C/c2cccs2)c2cc(C(=O)O)c(F)cc21.O=C(NCc1cccnc1)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F.O=C(NCc1ccco1)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F.O=C(N[C@H](CO)c1ccccc1)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide?
The InChIKey is ILIYYYBXWVIWHT-MULBQLJVSA-N. The full InChI is InChI=1S/C22H18FN3O2S.C20H15FN4OS.C19H14FN3O2S.C19H20FN3O2S.C17H15FN4O2S.C15H11FN2O2S/c23-18-12-20-17(19(25-26-20)9-8-15-7-4-10-29-15)11-16(18)22(28)24-21(13-27)14-5-2-1-3-6-14;21-17-10-19-16(18(24-25-19)6-5-14-4-2-8-27-14)9-15(17)20(26)23-12-13-3-1-7-22-11-13;20-16-10-18-15(17(22-23-18)6-5-13-4-2-8-26-13)9-14(16)19(24)21-11-12-3-1-7-25-12;1-11(2)18(10-24)21-19(25)13-8-14-16(6-5-12-4-3-7-26-12)22-23-17(14)9-15(13)20;1-9(16(19)23)20-17(24)11-7-12-14(5-4-10-3-2-6-25-10)21-22-15(12)8-13(11)18;1-18-14-8-12(16)10(15(19)20)7-11(14)13(17-18)5-4-9-3-2-6-21-9/h1-12,21,27H,13H2,(H,24,28)(H,25,26);1-11H,12H2,(H,23,26)(H,24,25);1-10H,11H2,(H,21,24)(H,22,23);3-9,11,18,24H,10H2,1-2H3,(H,21,25)(H,22,23);2-9H,1H3,(H2,19,23)(H,20,24)(H,21,22);2-8H,1H3,(H,19,20)/b9-8+;3*6-5+;2*5-4+/t21-;;;18-;9-;/m1..10./s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide has a molecular weight of 2187.49 g/mol, XLogP of 22.97, 30 rotatable bonds, 14 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-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-1-methyl-3-[(E)-2-thiophen-2-ylethenyl]indazole-5-carboxylic acid;6-fluoro-N-(pyridin-3-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 158733253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).