sodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide

C28H18Br2F2N7NaO3 — CID 158478768

IUPACsodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide
SMILESN#Cc1c2cc(Br)c(N)cc2nn1-c1ccc(F)cc1.Nc1cc2nn(-c3ccc(F)cc3)c(C(=O)O)c2cc1Br.[Na+].[OH-]
InChIInChI=1S/C14H8BrFN4.C14H9BrFN3O2.Na.H2O/c15-11-5-10-13(6-12(11)18)19-20(14(10)7-17)9-3-1-8(16)2-4-9;15-10-5-9-12(6-11(10)17)18-19(13(9)14(20)21)8-3-1-7(16)2-4-8;;/h1-6H,18H2;1-6H,17H2,(H,20,21);;1H2/q;;+1;/p-1
InChIKeyHHGNRWBVSBTKJR-UHFFFAOYSA-M
MW721.29 g/mol
LogP3.42
Rot. Bonds3

About sodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide

sodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide (PubChem CID 158478768) has the molecular formula C28H18Br2F2N7NaO3 and a molecular weight of 721.29 g/mol. Its IUPAC name is sodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide.

Molecular Properties

Compound Namesodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide
PubChem CID158478768
Molecular FormulaC28H18Br2F2N7NaO3
Molecular Weight721.29 g/mol
Exact Mass718.97
IUPAC Namesodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide
SMILESN#Cc1c2cc(Br)c(N)cc2nn1-c1ccc(F)cc1.Nc1cc2nn(-c3ccc(F)cc3)c(C(=O)O)c2cc1Br.[Na+].[OH-]
InChIInChI=1S/C14H8BrFN4.C14H9BrFN3O2.Na.H2O/c15-11-5-10-13(6-12(11)18)19-20(14(10)7-17)9-3-1-8(16)2-4-9;15-10-5-9-12(6-11(10)17)18-19(13(9)14(20)21)8-3-1-7(16)2-4-8;;/h1-6H,18H2;1-6H,17H2,(H,20,21);;1H2/q;;+1;/p-1
InChIKeyHHGNRWBVSBTKJR-UHFFFAOYSA-M
XLogP3.42
TPSA178.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500721.29
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze sodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide 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

6-amino-5-bromo-2-(4-fluorophenyl)-2H-indazole-3-carboxylic acid
CID 90332516
5-Bromo-2-(4-fluorophenyl)-6-nitroindazole-3-carbonitrile;5-bromo-2-(4-fluorophenyl)-6-nitroindazole-3-carboxylic acid
CID 160856563
6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;6-amino-5-bromo-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide;methanamine
CID 161186111

Frequently Asked Questions

What is the IUPAC name of sodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide?
The IUPAC name of sodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide (CID 158478768) is sodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide.
What is the SMILES notation for sodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide?
The canonical SMILES for sodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide is N#Cc1c2cc(Br)c(N)cc2nn1-c1ccc(F)cc1.Nc1cc2nn(-c3ccc(F)cc3)c(C(=O)O)c2cc1Br.[Na+].[OH-].
What is the InChIKey of sodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide?
The InChIKey is HHGNRWBVSBTKJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8BrFN4.C14H9BrFN3O2.Na.H2O/c15-11-5-10-13(6-12(11)18)19-20(14(10)7-17)9-3-1-8(16)2-4-9;15-10-5-9-12(6-11(10)17)18-19(13(9)14(20)21)8-3-1-7(16)2-4-8;;/h1-6H,18H2;1-6H,17H2,(H,20,21);;1H2/q;;+1;/p-1.
What are the key properties of sodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide?
sodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide has a molecular weight of 721.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carbonitrile;6-amino-5-bromo-2-(4-fluorophenyl)indazole-3-carboxylic acid;hydroxide is sourced from PubChem (CID 158478768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).