3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid

C15H10FN3O3 — CID 122584439

IUPAC3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(NC(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C15H10FN3O3/c16-10-4-1-8(2-5-10)14(20)17-13-11-7-9(15(21)22)3-6-12(11)18-19-13/h1-7H,(H,21,22)(H2,17,18,19,20)
InChIKeyKQXHWWTWSSVGKE-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.65
Rot. Bonds3

About 3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid

3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid (PubChem CID 122584439) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid
PubChem CID122584439
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(NC(=O)c3ccc(F)cc3)c2c1
InChIInChI=1S/C15H10FN3O3/c16-10-4-1-8(2-5-10)14(20)17-13-11-7-9(15(21)22)3-6-12(11)18-19-13/h1-7H,(H,21,22)(H2,17,18,19,20)
InChIKeyKQXHWWTWSSVGKE-UHFFFAOYSA-N
XLogP2.65
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid (CID 122584439) is 3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid is O=C(O)c1ccc2[nH]nc(NC(=O)c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid?
The InChIKey is KQXHWWTWSSVGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-10-4-1-8(2-5-10)14(20)17-13-11-7-9(15(21)22)3-6-12(11)18-19-13/h1-7H,(H,21,22)(H2,17,18,19,20).
What are the key properties of 3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid?
3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid has a molecular weight of 299.26 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 122584439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).