2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid

C20H16N2O4 — CID 141023866

IUPAC2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid
SMILESCOc1ccc2c(-c3occc3C(=O)O)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H16N2O4/c1-25-14-7-8-15-17(11-14)22(12-13-5-3-2-4-6-13)21-18(15)19-16(20(23)24)9-10-26-19/h2-11H,12H2,1H3,(H,23,24)
InChIKeyYZFJBQARTXGZGP-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.05
Rot. Bonds5

About 2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid

2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid (PubChem CID 141023866) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid
PubChem CID141023866
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid
SMILESCOc1ccc2c(-c3occc3C(=O)O)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H16N2O4/c1-25-14-7-8-15-17(11-14)22(12-13-5-3-2-4-6-13)21-18(15)19-16(20(23)24)9-10-26-19/h2-11H,12H2,1H3,(H,23,24)
InChIKeyYZFJBQARTXGZGP-UHFFFAOYSA-N
XLogP4.05
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzyl-6-fluoroindazol-3-yl)furan-3-carboxylic acid
CID 141023875
5-(1-benzyl-6-methoxyindazol-3-yl)-N-hydroxyfuran-2-carboxamide
CID 11349031
1-benzyl-6-methoxy-3-(5-methylfuran-2-yl)indazole
CID 91100368
(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone
CID 10472547
1-benzyl-6-methoxy-3-[5-(methoxymethyl)furan-2-yl]indazole
CID 11024496
1H-indazole;methyl 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylate
CID 157125189
[2-(1-benzylindazol-3-yl)furan-3-yl]methanamine
CID 22465028
5-(1-benzylindazol-3-yl)furan-2-carboxylic acid
CID 10925187
1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one
CID 71010883
6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 118424984
10-benzyl-3-methoxyacridin-9-one
CID 12751573
methyl 3-bromo-1-[(4-methoxyphenyl)methyl]indazole-6-carboxylate
CID 175654005

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid?
The IUPAC name of 2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid (CID 141023866) is 2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid?
The canonical SMILES for 2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid is COc1ccc2c(-c3occc3C(=O)O)nn(Cc3ccccc3)c2c1.
What is the InChIKey of 2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid?
The InChIKey is YZFJBQARTXGZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-25-14-7-8-15-17(11-14)22(12-13-5-3-2-4-6-13)21-18(15)19-16(20(23)24)9-10-26-19/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of 2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid?
2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-6-methoxyindazol-3-yl)furan-3-carboxylic acid is sourced from PubChem (CID 141023866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).