ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate

C21H20N2O5 — CID 69285974

IUPACethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]nc(C=Cc3ccc4c(c3)OCCO4)c2c1OC
InChIInChI=1S/C21H20N2O5/c1-3-26-21(24)14-6-8-16-19(20(14)25-2)15(22-23-16)7-4-13-5-9-17-18(12-13)28-11-10-27-17/h4-9,12H,3,10-11H2,1-2H3,(H,22,23)
InChIKeyGVCIDMPOXVTKDR-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.69
Rot. Bonds5

About ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate

ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate (PubChem CID 69285974) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate
PubChem CID69285974
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Nameethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]nc(C=Cc3ccc4c(c3)OCCO4)c2c1OC
InChIInChI=1S/C21H20N2O5/c1-3-26-21(24)14-6-8-16-19(20(14)25-2)15(22-23-16)7-4-13-5-9-17-18(12-13)28-11-10-27-17/h4-9,12H,3,10-11H2,1-2H3,(H,22,23)
InChIKeyGVCIDMPOXVTKDR-UHFFFAOYSA-N
XLogP3.69
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate with MolForge

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Related Compounds

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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 145974243
3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide
CID 118959923
3-(2H,3H-Benzo[E]1,4-Dioxin-6-Yl)-1H-Indazole-5-Carboxamide
CID 22479727
3-(3,4-dimethoxyphenyl)-1H-indazole-5-carboxamide
CID 22479847
3-(2,3-Dihydrobenzo[B]Furan-5-Yl)-1H-Indazole-5-Carboxamide
CID 22479895
ethyl 3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-indazole-5-carboxylate
CID 135029757
3-(3-Fluoro-phenyl)-6-methoxy-1H-indazole-5-carboxylic Acid
CID 22260956
3-(3-fluorophenyl)-4-methoxy-1H-indazole-5-carboxylic acid
CID 22260957
3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 59796984
3-[(E)-2-(2-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
CID 59797056

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate?
The IUPAC name of ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate (CID 69285974) is ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate?
The canonical SMILES for ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate is CCOC(=O)c1ccc2[nH]nc(C=Cc3ccc4c(c3)OCCO4)c2c1OC.
What is the InChIKey of ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate?
The InChIKey is GVCIDMPOXVTKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-3-26-21(24)14-6-8-16-19(20(14)25-2)15(22-23-16)7-4-13-5-9-17-18(12-13)28-11-10-27-17/h4-9,12H,3,10-11H2,1-2H3,(H,22,23).
What are the key properties of ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate?
ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate is sourced from PubChem (CID 69285974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).