4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide

C17H17FN4O3S — CID 44603147

IUPAC4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide
SMILESCSc1ccc(Nc2c(C(=O)NOCCO)ccc3[nH]ncc23)c(F)c1
InChIInChI=1S/C17H17FN4O3S/c1-26-10-2-4-15(13(18)8-10)20-16-11(17(24)22-25-7-6-23)3-5-14-12(16)9-19-21-14/h2-5,8-9,20,23H,6-7H2,1H3,(H,19,21)(H,22,24)
InChIKeyAZZLAYRJGBKAJL-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.82
Rot. Bonds7

About 4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide

4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide (PubChem CID 44603147) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide
PubChem CID44603147
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC Name4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide
SMILESCSc1ccc(Nc2c(C(=O)NOCCO)ccc3[nH]ncc23)c(F)c1
InChIInChI=1S/C17H17FN4O3S/c1-26-10-2-4-15(13(18)8-10)20-16-11(17(24)22-25-7-6-23)3-5-14-12(16)9-19-21-14/h2-5,8-9,20,23H,6-7H2,1H3,(H,19,21)(H,22,24)
InChIKeyAZZLAYRJGBKAJL-UHFFFAOYSA-N
XLogP2.82
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide 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-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide (CID 44603147) is 4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide is CSc1ccc(Nc2c(C(=O)NOCCO)ccc3[nH]ncc23)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide?
The InChIKey is AZZLAYRJGBKAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c1-26-10-2-4-15(13(18)8-10)20-16-11(17(24)22-25-7-6-23)3-5-14-12(16)9-19-21-14/h2-5,8-9,20,23H,6-7H2,1H3,(H,19,21)(H,22,24).
What are the key properties of 4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide?
4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 2.82, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylsulfanylanilino)-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide is sourced from PubChem (CID 44603147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).