6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride

C24H23ClFN3O4 — CID 118950983

IUPAC6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCN(C)Cc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3-c3ccc(F)cc3)ccc2n1C.Cl
InChIInChI=1S/C24H22FN3O4.ClH/c1-27(2)12-17-11-15-10-14(6-9-18(15)28(17)3)21-19(13-4-7-16(25)8-5-13)22(29)20(24(31)32)23(30)26-21;/h4-11H,12H2,1-3H3,(H,31,32)(H2,26,29,30);1H
InChIKeyFHTXKAZOZUTHOJ-UHFFFAOYSA-N
MW471.92 g/mol
LogP4.23
Rot. Bonds5

About 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride

6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (PubChem CID 118950983) has the molecular formula C24H23ClFN3O4 and a molecular weight of 471.92 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
PubChem CID118950983
Molecular FormulaC24H23ClFN3O4
Molecular Weight471.92 g/mol
Exact Mass471.14
IUPAC Name6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
SMILESCN(C)Cc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3-c3ccc(F)cc3)ccc2n1C.Cl
InChIInChI=1S/C24H22FN3O4.ClH/c1-27(2)12-17-11-15-10-14(6-9-18(15)28(17)3)21-19(13-4-7-16(25)8-5-13)22(29)20(24(31)32)23(30)26-21;/h4-11H,12H2,1-3H3,(H,31,32)(H2,26,29,30);1H
InChIKeyFHTXKAZOZUTHOJ-UHFFFAOYSA-N
XLogP4.23
TPSA98.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride 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 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride (CID 118950983) is 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is CN(C)Cc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3-c3ccc(F)cc3)ccc2n1C.Cl.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is FHTXKAZOZUTHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O4.ClH/c1-27(2)12-17-11-15-10-14(6-9-18(15)28(17)3)21-19(13-4-7-16(25)8-5-13)22(29)20(24(31)32)23(30)26-21;/h4-11H,12H2,1-3H3,(H,31,32)(H2,26,29,30);1H.
What are the key properties of 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride?
6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 471.92 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-(4-fluorophenyl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 118950983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).