3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid

C97H93N17O18 — CID 159345839

IUPAC3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid
SMILESCCOC(=O)c1ccc2c(c(/C=C/c3ccncc3)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccncc3)c2c1OC.COc1c(C(=O)NC(C)C(N)=O)ccc2n[nH]c(/C=C/c3ccc(C(C)=O)cc3)c12.COc1c(C(=O)NC(CO)C(N)=O)ccc2n[nH]c(/C=C/c3ccc(C(C)=O)cc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccncc3)c12
InChIInChI=1S/C22H22N4O5.C22H22N4O4.C19H19N3O3.C18H17N3O3.C16H13N3O3/c1-12(28)14-6-3-13(4-7-14)5-9-16-19-17(26-25-16)10-8-15(20(19)31-2)22(30)24-18(11-27)21(23)29;1-12(21(23)28)24-22(29)16-9-11-18-19(20(16)30-3)17(25-26-18)10-6-14-4-7-15(8-5-14)13(2)27;1-4-25-19(23)14-6-8-16-17(18(14)24-3)15(21-22(16)2)7-5-13-9-11-20-12-10-13;1-3-24-18(22)13-5-7-15-16(17(13)23-2)14(20-21-15)6-4-12-8-10-19-11-9-12;1-22-15-11(16(20)21)3-5-13-14(15)12(18-19-13)4-2-10-6-8-17-9-7-10/h3-10,18,27H,11H2,1-2H3,(H2,23,29)(H,24,30)(H,25,26);4-12H,1-3H3,(H2,23,28)(H,24,29)(H,25,26);5-12H,4H2,1-3H3;4-11H,3H2,1-2H3,(H,20,21);2-9H,1H3,(H,18,19)(H,20,21)/b9-5+;10-6+;7-5+;6-4+;4-2+
InChIKeyLGSCVSBAQVVNQS-YVCDIQCOSA-N
MW1784.91 g/mol
LogP13.54
Rot. Bonds29

About 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid

3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid (PubChem CID 159345839) has the molecular formula C97H93N17O18 and a molecular weight of 1784.91 g/mol. Its IUPAC name is 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid
PubChem CID159345839
Molecular FormulaC97H93N17O18
Molecular Weight1784.91 g/mol
Exact Mass1783.69
IUPAC Name3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid
SMILESCCOC(=O)c1ccc2c(c(/C=C/c3ccncc3)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccncc3)c2c1OC.COc1c(C(=O)NC(C)C(N)=O)ccc2n[nH]c(/C=C/c3ccc(C(C)=O)cc3)c12.COc1c(C(=O)NC(CO)C(N)=O)ccc2n[nH]c(/C=C/c3ccc(C(C)=O)cc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccncc3)c12
InChIInChI=1S/C22H22N4O5.C22H22N4O4.C19H19N3O3.C18H17N3O3.C16H13N3O3/c1-12(28)14-6-3-13(4-7-14)5-9-16-19-17(26-25-16)10-8-15(20(19)31-2)22(30)24-18(11-27)21(23)29;1-12(21(23)28)24-22(29)16-9-11-18-19(20(16)30-3)17(25-26-18)10-6-14-4-7-15(8-5-14)13(2)27;1-4-25-19(23)14-6-8-16-17(18(14)24-3)15(21-22(16)2)7-5-13-9-11-20-12-10-13;1-3-24-18(22)13-5-7-15-16(17(13)23-2)14(20-21-15)6-4-12-8-10-19-11-9-12;1-22-15-11(16(20)21)3-5-13-14(15)12(18-19-13)4-2-10-6-8-17-9-7-10/h3-10,18,27H,11H2,1-2H3,(H2,23,29)(H,24,30)(H,25,26);4-12H,1-3H3,(H2,23,28)(H,24,29)(H,25,26);5-12H,4H2,1-3H3;4-11H,3H2,1-2H3,(H,20,21);2-9H,1H3,(H,18,19)(H,20,21)/b9-5+;10-6+;7-5+;6-4+;4-2+
InChIKeyLGSCVSBAQVVNQS-YVCDIQCOSA-N
XLogP13.54
TPSA506.01 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001784.91
LogP ≤ 513.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole
CID 159518786
1-[6-(1-benzofuran-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;(2S)-2-[[2-(1-benzofuran-5-yl)-6-[2-[4-(trifluoromethyl)phenyl]acetyl]-4-pyridinyl]amino]propanamide;2-cyclohexyl-1-[6-(1H-indol-5-yl)-2-pyridinyl]ethanone;1-[6-(1H-indazol-5-yl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]ethanone;(2S)-2-[[2-(1H-indol-5-yl)-6-[2-[4-(trifluoromethyl)phenyl]acetyl]-4-pyridinyl]amino]propanamide;3-[[2-(1H-indol-5-yl)-6-[2-[4-(trifluoromethyl)phenyl]acetyl]-4-pyridinyl]amino]pyrrolidin-2-one
CID 160397759
N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole
CID 160558454
3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole;5-isocyano-4-methoxy-3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole;5-isocyano-4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-indazole
CID 161417873
N-[(3R,6S)-6-[4-(1-cyclopentyloxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-[4-(3,3-dimethylbutanoylamino)butyl-methylcarbamoyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-propan-2-yloxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;2-[1-[(2-isocyanophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-1-ium-4-yl-1H-indazol-5-yl)ethanone;oxan-4-yl 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;2,2,2-trifluoroacetate
CID 161974063
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetic acid;2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide;6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-3-(1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)quinolin-2-one;ethyl 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methoxy-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]pyrazol-1-yl]acetate
CID 157050039
N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-benzyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide
CID 157151684
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-benzyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-2-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-3-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-pyridin-4-ylethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(pyridin-4-ylmethyl)-2H-indazole-5-carboxamide
CID 157255865
3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylate;N-(furan-3-ylmethyl)-4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-2H-indazole-5-carboxylic acid;4-methoxy-3-[(E)-2-pyrazin-2-ylethenyl]-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide
CID 157257472
N-[(3R,6S)-6-acetyl-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(butylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;tert-butyl 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-(dimethylaminocarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(methylcarbamoyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 157264434
tert-butyl 4-[(2S,5R)-1-[[2-fluoro-6-(trideuteriomethoxy)phenyl]methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate;N-[(3R,6S)-6-[4-(1-ethoxyethenyl)piperazine-1-carbonyl]-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-[4-(1-methoxyethenyl)piperazine-1-carbonyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-prop-1-en-2-ylpiperazine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 157271290

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid?
The IUPAC name of 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid (CID 159345839) is 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid?
The canonical SMILES for 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid is CCOC(=O)c1ccc2c(c(/C=C/c3ccncc3)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccncc3)c2c1OC.COc1c(C(=O)NC(C)C(N)=O)ccc2n[nH]c(/C=C/c3ccc(C(C)=O)cc3)c12.COc1c(C(=O)NC(CO)C(N)=O)ccc2n[nH]c(/C=C/c3ccc(C(C)=O)cc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccncc3)c12.
What is the InChIKey of 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid?
The InChIKey is LGSCVSBAQVVNQS-YVCDIQCOSA-N. The full InChI is InChI=1S/C22H22N4O5.C22H22N4O4.C19H19N3O3.C18H17N3O3.C16H13N3O3/c1-12(28)14-6-3-13(4-7-14)5-9-16-19-17(26-25-16)10-8-15(20(19)31-2)22(30)24-18(11-27)21(23)29;1-12(21(23)28)24-22(29)16-9-11-18-19(20(16)30-3)17(25-26-18)10-6-14-4-7-15(8-5-14)13(2)27;1-4-25-19(23)14-6-8-16-17(18(14)24-3)15(21-22(16)2)7-5-13-9-11-20-12-10-13;1-3-24-18(22)13-5-7-15-16(17(13)23-2)14(20-21-15)6-4-12-8-10-19-11-9-12;1-22-15-11(16(20)21)3-5-13-14(15)12(18-19-13)4-2-10-6-8-17-9-7-10/h3-10,18,27H,11H2,1-2H3,(H2,23,29)(H,24,30)(H,25,26);4-12H,1-3H3,(H2,23,28)(H,24,29)(H,25,26);5-12H,4H2,1-3H3;4-11H,3H2,1-2H3,(H,20,21);2-9H,1H3,(H,18,19)(H,20,21)/b9-5+;10-6+;7-5+;6-4+;4-2+.
What are the key properties of 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid?
3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid has a molecular weight of 1784.91 g/mol, XLogP of 13.54, 29 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 159345839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).