6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid

C18H19FN4O2 — CID 66917021

IUPAC6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid
SMILESCN(C)CCNc1cc(C(=O)O)c2cnn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C18H19FN4O2/c1-22(2)8-7-20-13-9-15(18(24)25)16-11-21-23(17(16)10-13)14-5-3-12(19)4-6-14/h3-6,9-11,20H,7-8H2,1-2H3,(H,24,25)
InChIKeyFUYHVNCKZHYZJB-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.84
Rot. Bonds6

About 6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid

6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid (PubChem CID 66917021) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid
PubChem CID66917021
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid
SMILESCN(C)CCNc1cc(C(=O)O)c2cnn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C18H19FN4O2/c1-22(2)8-7-20-13-9-15(18(24)25)16-11-21-23(17(16)10-13)14-5-3-12(19)4-6-14/h3-6,9-11,20H,7-8H2,1-2H3,(H,24,25)
InChIKeyFUYHVNCKZHYZJB-UHFFFAOYSA-N
XLogP2.84
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid (CID 66917021) is 6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid is CN(C)CCNc1cc(C(=O)O)c2cnn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid?
The InChIKey is FUYHVNCKZHYZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-22(2)8-7-20-13-9-15(18(24)25)16-11-21-23(17(16)10-13)14-5-3-12(19)4-6-14/h3-6,9-11,20H,7-8H2,1-2H3,(H,24,25).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid?
6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid has a molecular weight of 342.37 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)indazole-4-carboxylic acid is sourced from PubChem (CID 66917021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).