4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid

C24H17FN2O3 — CID 73297167

IUPAC4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2nn(C(=O)c3cccc4c3CCC4)c3ccccc23)c(F)c1
InChIInChI=1S/C24H17FN2O3/c25-20-13-15(24(29)30)11-12-18(20)22-19-7-1-2-10-21(19)27(26-22)23(28)17-9-4-6-14-5-3-8-16(14)17/h1-2,4,6-7,9-13H,3,5,8H2,(H,29,30)
InChIKeyZQSOJGWWQMLPEG-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.72
Rot. Bonds3

About 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid

4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid (PubChem CID 73297167) has the molecular formula C24H17FN2O3 and a molecular weight of 400.41 g/mol. Its IUPAC name is 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid
PubChem CID73297167
Molecular FormulaC24H17FN2O3
Molecular Weight400.41 g/mol
Exact Mass400.12
IUPAC Name4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2nn(C(=O)c3cccc4c3CCC4)c3ccccc23)c(F)c1
InChIInChI=1S/C24H17FN2O3/c25-20-13-15(24(29)30)11-12-18(20)22-19-7-1-2-10-21(19)27(26-22)23(28)17-9-4-6-14-5-3-8-16(14)17/h1-2,4,6-7,9-13H,3,5,8H2,(H,29,30)
InChIKeyZQSOJGWWQMLPEG-UHFFFAOYSA-N
XLogP4.72
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid?
The IUPAC name of 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid (CID 73297167) is 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid is O=C(O)c1ccc(-c2nn(C(=O)c3cccc4c3CCC4)c3ccccc23)c(F)c1.
What is the InChIKey of 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid?
The InChIKey is ZQSOJGWWQMLPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O3/c25-20-13-15(24(29)30)11-12-18(20)22-19-7-1-2-10-21(19)27(26-22)23(28)17-9-4-6-14-5-3-8-16(14)17/h1-2,4,6-7,9-13H,3,5,8H2,(H,29,30).
What are the key properties of 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid?
4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid has a molecular weight of 400.41 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3-dihydro-1H-indene-4-carbonyl)indazol-3-yl]-3-fluorobenzoic acid is sourced from PubChem (CID 73297167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).