4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid

C18H16FN3O2 — CID 118663136

IUPAC4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)cc1Cc1ccc(-c2cnn(C)c2)cc1F
InChIInChI=1S/C18H16FN3O2/c1-11-8-20-17(18(23)24)7-14(11)5-13-4-3-12(6-16(13)19)15-9-21-22(2)10-15/h3-4,6-10H,5H2,1-2H3,(H,23,24)
InChIKeyLRNMWZKLLCGDLA-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.22
Rot. Bonds4

About 4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid

4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid (PubChem CID 118663136) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid
PubChem CID118663136
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid
SMILESCc1cnc(C(=O)O)cc1Cc1ccc(-c2cnn(C)c2)cc1F
InChIInChI=1S/C18H16FN3O2/c1-11-8-20-17(18(23)24)7-14(11)5-13-4-3-12(6-16(13)19)15-9-21-22(2)10-15/h3-4,6-10H,5H2,1-2H3,(H,23,24)
InChIKeyLRNMWZKLLCGDLA-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid?
The IUPAC name of 4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid (CID 118663136) is 4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid?
The canonical SMILES for 4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid is Cc1cnc(C(=O)O)cc1Cc1ccc(-c2cnn(C)c2)cc1F.
What is the InChIKey of 4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid?
The InChIKey is LRNMWZKLLCGDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11-8-20-17(18(23)24)7-14(11)5-13-4-3-12(6-16(13)19)15-9-21-22(2)10-15/h3-4,6-10H,5H2,1-2H3,(H,23,24).
What are the key properties of 4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid?
4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid has a molecular weight of 325.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 118663136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).