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

C21H18N2O4 — CID 173155122

IUPACethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2n[nH]c(C=Cc3ccc4occc4c3)c2c1OC
InChIInChI=1S/C21H18N2O4/c1-3-26-21(24)15-6-8-17-19(20(15)25-2)16(22-23-17)7-4-13-5-9-18-14(12-13)10-11-27-18/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyMBOXZBCHAWCBHN-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.66
Rot. Bonds5

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

ethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate (PubChem CID 173155122) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is ethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate
PubChem CID173155122
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Nameethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2n[nH]c(C=Cc3ccc4occc4c3)c2c1OC
InChIInChI=1S/C21H18N2O4/c1-3-26-21(24)15-6-8-17-19(20(15)25-2)16(22-23-17)7-4-13-5-9-18-14(12-13)10-11-27-18/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyMBOXZBCHAWCBHN-UHFFFAOYSA-N
XLogP4.66
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-(6-acetyl-3-pyridinyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate
CID 173122685
3-[(E)-2-(4-aminophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid
CID 135987971
3-[2-(1-benzofuran-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 69284821
3-[(E)-2-(4-acetylphenyl)ethenyl]-N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-4-methoxy-2H-indazole-5-carboxamide
CID 135987991
ethyl 3-(1-benzofuran-5-yl)-6-oxo-1H-pyridazine-5-carboxylate
CID 71123831
3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide
CID 162189954
N-[2-(butylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide
CID 173122785
ethyl 4-(1-benzofuran-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;hydrochloride
CID 67956067
3-[2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136651581
ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-pyrrole-3-carboxylate
CID 23567916
N-[3-(1-benzofuran-5-yl)prop-2-enyl]acetamide
CID 169465575
ethyl 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]benzoate
CID 21190809

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate?
The IUPAC name of ethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate (CID 173155122) is ethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate?
The canonical SMILES for ethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate is CCOC(=O)c1ccc2n[nH]c(C=Cc3ccc4occc4c3)c2c1OC.
What is the InChIKey of ethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate?
The InChIKey is MBOXZBCHAWCBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-3-26-21(24)15-6-8-17-19(20(15)25-2)16(22-23-17)7-4-13-5-9-18-14(12-13)10-11-27-18/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of ethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate?
ethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate is sourced from PubChem (CID 173155122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).