2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid

C17H13FN2O4 — CID 170857608

IUPAC2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid
SMILESCOc1ccc2c(C(=O)c3ccc(F)cc3)nn(CC(=O)O)c2c1
InChIInChI=1S/C17H13FN2O4/c1-24-12-6-7-13-14(8-12)20(9-15(21)22)19-16(13)17(23)10-2-4-11(18)5-3-10/h2-8H,9H2,1H3,(H,21,22)
InChIKeyRFLYDAJVENTUSX-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.50
Rot. Bonds5

About 2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid

2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid (PubChem CID 170857608) has the molecular formula C17H13FN2O4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid
PubChem CID170857608
Molecular FormulaC17H13FN2O4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid
SMILESCOc1ccc2c(C(=O)c3ccc(F)cc3)nn(CC(=O)O)c2c1
InChIInChI=1S/C17H13FN2O4/c1-24-12-6-7-13-14(8-12)20(9-15(21)22)19-16(13)17(23)10-2-4-11(18)5-3-10/h2-8H,9H2,1H3,(H,21,22)
InChIKeyRFLYDAJVENTUSX-UHFFFAOYSA-N
XLogP2.50
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid
CID 170857578
1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one
CID 71010883
1-(3-benzoyl-6-methoxyindazol-1-yl)-3,3-dimethylbutan-2-one
CID 10427954
(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone
CID 10472547
1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one
CID 10317635
1-[3-[4-(2-hydroxyethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one
CID 10092024
1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carboxylic acid
CID 11737836
ditert-butyl [4-[1-(3,3-dimethyl-2-oxobutyl)-6-methoxyindazole-3-carbonyl]phenyl]methyl phosphate
CID 11512544
2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 10003042
1-[6-methoxy-3-[6-(phosphorosooxymethyl)pyridine-3-carbonyl]indazol-1-yl]-3,3-dimethylbutan-2-one
CID 71024133
N-tert-butyl-N-[2-[tert-butyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]ethyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide
CID 24968309
N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide
CID 10070999

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid (CID 170857608) is 2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid is COc1ccc2c(C(=O)c3ccc(F)cc3)nn(CC(=O)O)c2c1.
What is the InChIKey of 2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid?
The InChIKey is RFLYDAJVENTUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4/c1-24-12-6-7-13-14(8-12)20(9-15(21)22)19-16(13)17(23)10-2-4-11(18)5-3-10/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of 2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid?
2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid has a molecular weight of 328.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid is sourced from PubChem (CID 170857608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).