2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

C19H19FN4O2 — CID 90408158

IUPAC2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(F)cc1
InChIInChI=1S/C19H19FN4O2/c1-23(11-14-2-4-16(20)5-3-14)8-9-24-12-18(22-13-24)17-10-15(19(25)26)6-7-21-17/h2-7,10,12-13H,8-9,11H2,1H3,(H,25,26)
InChIKeyXBGIGBHCVFRAGP-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.91
Rot. Bonds7

About 2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90408158) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90408158
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(F)cc1
InChIInChI=1S/C19H19FN4O2/c1-23(11-14-2-4-16(20)5-3-14)8-9-24-12-18(22-13-24)17-10-15(19(25)26)6-7-21-17/h2-7,10,12-13H,8-9,11H2,1H3,(H,25,26)
InChIKeyXBGIGBHCVFRAGP-UHFFFAOYSA-N
XLogP2.91
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid 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

1-Isopropyl-1H-benzoimidazole-5-carboxylic acid
CID 4712703
Zolpidem carboxylic acid
CID 11966044
4-(1-Imidazolyl)benzoic Acid
CID 736529
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
1-Methyl-1H-benzimidazole-5-carboxylic acid
CID 4913063
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
1-Cyclohexylbenzodiazole-5-carboxylic acid
CID 513903
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
3-(6-Amino-pyridin-3-yl)-2-(1-benzyl-1H-imidazol-4-yl)-propionic acid
CID 9966944
2-(1-methyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
CID 86268882
2-[5-(4-Methoxyphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
CID 90407809
2-[[[1-[(E)-3-phenylprop-2-enyl]imidazol-2-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 118421047

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 90408158) is 2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is XBGIGBHCVFRAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-23(11-14-2-4-16(20)5-3-14)8-9-24-12-18(22-13-24)17-10-15(19(25)26)6-7-21-17/h2-7,10,12-13H,8-9,11H2,1H3,(H,25,26).
What are the key properties of 2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 354.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90408158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).