3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate

C84H79N9O15 — CID 159495827

IUPAC3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c(/C=C/c3ccc(C(C)=O)cc3)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(C(C)=O)cc3)c2c1OC.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(C(C)=O)cc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc(C(C)=O)cc3)c12
InChIInChI=1S/C22H21N3O3.C22H22N2O4.C21H20N2O4.C19H16N2O4/c1-13(26)15-6-3-14(4-7-15)5-11-18-20-19(25-24-18)12-10-17(21(20)28-2)22(27)23-16-8-9-16;1-5-28-22(26)17-11-13-19-20(21(17)27-4)18(23-24(19)3)12-8-15-6-9-16(10-7-15)14(2)25;1-4-27-21(25)16-10-12-18-19(20(16)26-3)17(22-23-18)11-7-14-5-8-15(9-6-14)13(2)24;1-11(22)13-6-3-12(4-7-13)5-9-15-17-16(21-20-15)10-8-14(19(23)24)18(17)25-2/h3-7,10-12,16H,8-9H2,1-2H3,(H,23,27)(H,24,25);6-13H,5H2,1-4H3;5-12H,4H2,1-3H3,(H,22,23);3-10H,1-2H3,(H,20,21)(H,23,24)/b11-5+;12-8+;11-7+;9-5+
InChIKeyLYTPJNWCDLEYMB-SOTSCHNRSA-N
MW1454.60 g/mol
LogP15.73
Rot. Bonds23

About 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate

3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate (PubChem CID 159495827) has the molecular formula C84H79N9O15 and a molecular weight of 1454.60 g/mol. Its IUPAC name is 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate.

Molecular Properties

Compound Name3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate
PubChem CID159495827
Molecular FormulaC84H79N9O15
Molecular Weight1454.60 g/mol
Exact Mass1453.57
IUPAC Name3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c(/C=C/c3ccc(C(C)=O)cc3)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(C(C)=O)cc3)c2c1OC.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(C(C)=O)cc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc(C(C)=O)cc3)c12
InChIInChI=1S/C22H21N3O3.C22H22N2O4.C21H20N2O4.C19H16N2O4/c1-13(26)15-6-3-14(4-7-15)5-11-18-20-19(25-24-18)12-10-17(21(20)28-2)22(27)23-16-8-9-16;1-5-28-22(26)17-11-13-19-20(21(17)27-4)18(23-24(19)3)12-8-15-6-9-16(10-7-15)14(2)25;1-4-27-21(25)16-10-12-18-19(20(16)26-3)17(22-23-18)11-7-14-5-8-15(9-6-14)13(2)24;1-11(22)13-6-3-12(4-7-13)5-9-15-17-16(21-20-15)10-8-14(19(23)24)18(17)25-2/h3-7,10-12,16H,8-9H2,1-2H3,(H,23,27)(H,24,25);6-13H,5H2,1-4H3;5-12H,4H2,1-3H3,(H,22,23);3-10H,1-2H3,(H,20,21)(H,23,24)/b11-5+;12-8+;11-7+;9-5+
InChIKeyLYTPJNWCDLEYMB-SOTSCHNRSA-N
XLogP15.73
TPSA328.06 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001454.60
LogP ≤ 515.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate with MolForge

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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
N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide
CID 160081203
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
N-cyclopropyl-3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide
CID 160581110
N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide
CID 160923552
3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(2,4,6-trimethoxyphenyl)methyl]-2H-indazole-5-carboxamide
CID 161440877
3-[(E)-2-[4-(acetamidomethyl)phenyl]ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 68932780
3-[2-[4-(acetamidomethyl)phenyl]ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 68932783
3-[(E)-2-[4-(acetamidomethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid
CID 136334663
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
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide
CID 157162028
N-cyclopropyl-3-[(E)-2-[4-(2-hydroxyethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide
CID 157248359

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate?
The IUPAC name of 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate (CID 159495827) is 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate.
What is the SMILES notation for 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate?
The canonical SMILES for 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate is CCOC(=O)c1ccc2c(c(/C=C/c3ccc(C(C)=O)cc3)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(C(C)=O)cc3)c2c1OC.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc(C(C)=O)cc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc(C(C)=O)cc3)c12.
What is the InChIKey of 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate?
The InChIKey is LYTPJNWCDLEYMB-SOTSCHNRSA-N. The full InChI is InChI=1S/C22H21N3O3.C22H22N2O4.C21H20N2O4.C19H16N2O4/c1-13(26)15-6-3-14(4-7-15)5-11-18-20-19(25-24-18)12-10-17(21(20)28-2)22(27)23-16-8-9-16;1-5-28-22(26)17-11-13-19-20(21(17)27-4)18(23-24(19)3)12-8-15-6-9-16(10-7-15)14(2)25;1-4-27-21(25)16-10-12-18-19(20(16)26-3)17(22-23-18)11-7-14-5-8-15(9-6-14)13(2)24;1-11(22)13-6-3-12(4-7-13)5-9-15-17-16(21-20-15)10-8-14(19(23)24)18(17)25-2/h3-7,10-12,16H,8-9H2,1-2H3,(H,23,27)(H,24,25);6-13H,5H2,1-4H3;5-12H,4H2,1-3H3,(H,22,23);3-10H,1-2H3,(H,20,21)(H,23,24)/b11-5+;12-8+;11-7+;9-5+.
What are the key properties of 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate?
3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate has a molecular weight of 1454.60 g/mol, XLogP of 15.73, 23 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate is sourced from PubChem (CID 159495827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).