1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid

C24H19N3O3 — CID 166356741

IUPAC1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCc2ccccc21)c1ccc(-n2ncc3ccccc32)cc1
InChIInChI=1S/C24H19N3O3/c28-22(26-24(23(29)30)14-13-16-5-1-3-7-20(16)24)17-9-11-19(12-10-17)27-21-8-4-2-6-18(21)15-25-27/h1-12,15H,13-14H2,(H,26,28)(H,29,30)
InChIKeySNPVIGKCDFSCLL-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.68
Rot. Bonds4

About 1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid

1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid (PubChem CID 166356741) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is 1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid
PubChem CID166356741
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCc2ccccc21)c1ccc(-n2ncc3ccccc32)cc1
InChIInChI=1S/C24H19N3O3/c28-22(26-24(23(29)30)14-13-16-5-1-3-7-20(16)24)17-9-11-19(12-10-17)27-21-8-4-2-6-18(21)15-25-27/h1-12,15H,13-14H2,(H,26,28)(H,29,30)
InChIKeySNPVIGKCDFSCLL-UHFFFAOYSA-N
XLogP3.68
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid (CID 166356741) is 1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid is O=C(NC1(C(=O)O)CCc2ccccc21)c1ccc(-n2ncc3ccccc32)cc1.
What is the InChIKey of 1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is SNPVIGKCDFSCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-22(26-24(23(29)30)14-13-16-5-1-3-7-20(16)24)17-9-11-19(12-10-17)27-21-8-4-2-6-18(21)15-25-27/h1-12,15H,13-14H2,(H,26,28)(H,29,30).
What are the key properties of 1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid?
1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 397.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-indazol-1-ylbenzoyl)amino]-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 166356741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).