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

C21H22N2O5 — CID 68932542

IUPACethyl 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]nc(C=Cc3ccc(OC)c(OC)c3)c2c1OC
InChIInChI=1S/C21H22N2O5/c1-5-28-21(24)14-8-10-16-19(20(14)27-4)15(22-23-16)9-6-13-7-11-17(25-2)18(12-13)26-3/h6-12H,5H2,1-4H3,(H,22,23)
InChIKeyBLPGXCUNWSCOGF-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.94
Rot. Bonds7

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

ethyl 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate (PubChem CID 68932542) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate
PubChem CID68932542
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Nameethyl 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2[nH]nc(C=Cc3ccc(OC)c(OC)c3)c2c1OC
InChIInChI=1S/C21H22N2O5/c1-5-28-21(24)14-8-10-16-19(20(14)27-4)15(22-23-16)9-6-13-7-11-17(25-2)18(12-13)26-3/h6-12H,5H2,1-4H3,(H,22,23)
InChIKeyBLPGXCUNWSCOGF-UHFFFAOYSA-N
XLogP3.94
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-Methoxy-7-(1-propyn-1-yl)-1H-indazol-3-yl](3,4,5-trimethoxyphenyl)methanone
CID 11574447
(7-ethynyl-6-methoxy-2H-indazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11552348
(6-methoxy-1H-indazol-3-yl)(3,4,5-trimethoxyphenyl)methanone
CID 16110538
[7-(3-hydroxypropyl)-6-methoxy-2H-indazol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16110543
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
[7-[(Z)-3-hydroxyprop-1-enyl]-6-methoxy-2H-indazol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16110542
3-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2H-indazole-5-carboxamide
CID 118959923
N-benzyl-6-hydroxy-3-[(3-methoxyphenyl)methyl]-N-methyl-1H-indazole-5-carboxamide
CID 137630311
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

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate?
The IUPAC name of ethyl 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate (CID 68932542) is ethyl 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate?
The canonical SMILES for ethyl 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate is CCOC(=O)c1ccc2[nH]nc(C=Cc3ccc(OC)c(OC)c3)c2c1OC.
What is the InChIKey of ethyl 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate?
The InChIKey is BLPGXCUNWSCOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-5-28-21(24)14-8-10-16-19(20(14)27-4)15(22-23-16)9-6-13-7-11-17(25-2)18(12-13)26-3/h6-12H,5H2,1-4H3,(H,22,23).
What are the key properties of ethyl 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate?
ethyl 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxylate is sourced from PubChem (CID 68932542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).