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

C19H16N2O4 — CID 68932447

IUPAC3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2[nH]nc(C=Cc3ccc4c(c3)CCO4)c12
InChIInChI=1S/C19H16N2O4/c1-24-18-13(19(22)23)4-6-15-17(18)14(20-21-15)5-2-11-3-7-16-12(10-11)8-9-25-16/h2-7,10H,8-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyDTSJWBGVSLEHHI-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.38
Rot. Bonds4

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

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid (PubChem CID 68932447) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
PubChem CID68932447
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2[nH]nc(C=Cc3ccc4c(c3)CCO4)c12
InChIInChI=1S/C19H16N2O4/c1-24-18-13(19(22)23)4-6-15-17(18)14(20-21-15)5-2-11-3-7-16-12(10-11)8-9-25-16/h2-7,10H,8-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyDTSJWBGVSLEHHI-UHFFFAOYSA-N
XLogP3.38
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 68933586
2-amino-3-[3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazol-5-yl]-3-oxopropanoic acid
CID 68928279
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
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)prop-2-enamide
CID 115609965
3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
CID 74868098
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797305
(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenol
CID 90352085
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 17463565
fluoro (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoate
CID 143200425
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
CID 39487618
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamide
CID 43402766
3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91456024

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid (CID 68932447) is 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid is COc1c(C(=O)O)ccc2[nH]nc(C=Cc3ccc4c(c3)CCO4)c12.
What is the InChIKey of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
The InChIKey is DTSJWBGVSLEHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-24-18-13(19(22)23)4-6-15-17(18)14(20-21-15)5-2-11-3-7-16-12(10-11)8-9-25-16/h2-7,10H,8-9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid has a molecular weight of 336.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 68932447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).