3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide

C22H23N3O4 — CID 68934311

IUPAC3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide
SMILESC=CCNC(=O)c1ccc2[nH]nc(C=Cc3ccc(OC)c(OC)c3)c2c1OC
InChIInChI=1S/C22H23N3O4/c1-5-12-23-22(26)15-8-10-17-20(21(15)29-4)16(24-25-17)9-6-14-7-11-18(27-2)19(13-14)28-3/h5-11,13H,1,12H2,2-4H3,(H,23,26)(H,24,25)
InChIKeyXEWVDNOQVICLMP-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.67
Rot. Bonds8

About 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide

3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide (PubChem CID 68934311) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide
PubChem CID68934311
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide
SMILESC=CCNC(=O)c1ccc2[nH]nc(C=Cc3ccc(OC)c(OC)c3)c2c1OC
InChIInChI=1S/C22H23N3O4/c1-5-12-23-22(26)15-8-10-17-20(21(15)29-4)16(24-25-17)9-6-14-7-11-18(27-2)19(13-14)28-3/h5-11,13H,1,12H2,2-4H3,(H,23,26)(H,24,25)
InChIKeyXEWVDNOQVICLMP-UHFFFAOYSA-N
XLogP3.67
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide 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

3-[(E)-2-(3,4-difluorophenyl)ethenyl]-N-(2-iminoethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 142836253
3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91235662
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1H-pyrrol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91101370
3-[2-(1-benzofuran-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 69284821
2,3,4-trimethoxy-N-prop-2-enylbenzamide
CID 7971428
N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]-1H-indazole-5-carboxamide
CID 59796966
3-[2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90963822
3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91456024
2,4-dimethoxy-3-methyl-N-prop-2-enylbenzamide
CID 110763319
3-[2-(4-chlorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 68927422
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797305
N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 68935587

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide (CID 68934311) is 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide is C=CCNC(=O)c1ccc2[nH]nc(C=Cc3ccc(OC)c(OC)c3)c2c1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide?
The InChIKey is XEWVDNOQVICLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-5-12-23-22(26)15-8-10-17-20(21(15)29-4)16(24-25-17)9-6-14-7-11-18(27-2)19(13-14)28-3/h5-11,13H,1,12H2,2-4H3,(H,23,26)(H,24,25).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide?
3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.67, 8 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-N-prop-2-enyl-1H-indazole-5-carboxamide is sourced from PubChem (CID 68934311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).