3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid

C19H18N2O5 — CID 68926997

IUPAC3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)O)c(OC)c23)cc1OC
InChIInChI=1S/C19H18N2O5/c1-24-15-9-5-11(10-16(15)25-2)4-7-13-17-14(21-20-13)8-6-12(19(22)23)18(17)26-3/h4-10H,1-3H3,(H,20,21)(H,22,23)
InChIKeyPFFLGCSAAGBPHS-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.46
Rot. Bonds6

About 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid

3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid (PubChem CID 68926997) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
PubChem CID68926997
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)O)c(OC)c23)cc1OC
InChIInChI=1S/C19H18N2O5/c1-24-15-9-5-11(10-16(15)25-2)4-7-13-17-14(21-20-13)8-6-12(19(22)23)18(17)26-3/h4-10H,1-3H3,(H,20,21)(H,22,23)
InChIKeyPFFLGCSAAGBPHS-UHFFFAOYSA-N
XLogP3.46
TPSA93.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-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-(1,3-benzodioxol-5-yl)-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137631322
[7-(4-hydroxybut-1-ynyl)-6-methoxy-2H-indazol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 11560583
(6-methoxy-1H-indazol-3-yl)(3,4,5-trimethoxyphenyl)methanone
CID 16110538
[7-(3-hydroxy-3-methylbut-1-ynyl)-6-methoxy-2H-indazol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16110539
[7-(3-hydroxypropyl)-6-methoxy-2H-indazol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16110543
6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630304
N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630316
3-benzyl-N-[(2,3-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630341
3-benzyl-6-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630344
3-[(3-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630350
6-hydroxy-N-(3-methoxyphenyl)-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 145966299
[7-[(Z)-3-hydroxyprop-1-enyl]-6-methoxy-2H-indazol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16110542

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid (CID 68926997) is 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid is COc1ccc(C=Cc2n[nH]c3ccc(C(=O)O)c(OC)c23)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
The InChIKey is PFFLGCSAAGBPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-24-15-9-5-11(10-16(15)25-2)4-7-13-17-14(21-20-13)8-6-12(19(22)23)18(17)26-3/h4-10H,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid has a molecular weight of 354.36 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 68926997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).