2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid

C18H16N2O4 — CID 170857578

IUPAC2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid
SMILESCOc1ccc(C(=O)c2nn(CC(=O)O)c3cc(C)ccc23)cc1
InChIInChI=1S/C18H16N2O4/c1-11-3-8-14-15(9-11)20(10-16(21)22)19-17(14)18(23)12-4-6-13(24-2)7-5-12/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeySFEVLDGQRMBNAI-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.67
Rot. Bonds5

About 2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid

2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid (PubChem CID 170857578) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid
PubChem CID170857578
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid
SMILESCOc1ccc(C(=O)c2nn(CC(=O)O)c3cc(C)ccc23)cc1
InChIInChI=1S/C18H16N2O4/c1-11-3-8-14-15(9-11)20(10-16(21)22)19-17(14)18(23)12-4-6-13(24-2)7-5-12/h3-9H,10H2,1-2H3,(H,21,22)
InChIKeySFEVLDGQRMBNAI-UHFFFAOYSA-N
XLogP2.67
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-methoxybenzoyl)-6-methylindazol-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-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid
CID 170857608
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
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
2-[5-methoxy-3-(4-methylbenzoyl)indazol-1-yl]propanoic acid
CID 170857590
2-(3-iodo-5-methylindazol-1-yl)acetic acid
CID 71223562
2-(3-benzoyl-6-methoxyindazol-1-yl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 10003042

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid (CID 170857578) is 2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid is COc1ccc(C(=O)c2nn(CC(=O)O)c3cc(C)ccc23)cc1.
What is the InChIKey of 2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid?
The InChIKey is SFEVLDGQRMBNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-3-8-14-15(9-11)20(10-16(21)22)19-17(14)18(23)12-4-6-13(24-2)7-5-12/h3-9H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid?
2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid has a molecular weight of 324.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid is sourced from PubChem (CID 170857578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).