6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid

C22H18FN5O2 — CID 168965100

IUPAC6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid
SMILESNCc1cnc(-c2ccc(F)cc2)cc1-c1ccn(Cc2cccc(C(=O)O)n2)n1
InChIInChI=1S/C22H18FN5O2/c23-16-6-4-14(5-7-16)21-10-18(15(11-24)12-25-21)19-8-9-28(27-19)13-17-2-1-3-20(26-17)22(29)30/h1-10,12H,11,13,24H2,(H,29,30)
InChIKeyOUFDFFLBOWDBEY-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.35
Rot. Bonds6

About 6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid

6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 168965100) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid
PubChem CID168965100
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid
SMILESNCc1cnc(-c2ccc(F)cc2)cc1-c1ccn(Cc2cccc(C(=O)O)n2)n1
InChIInChI=1S/C22H18FN5O2/c23-16-6-4-14(5-7-16)21-10-18(15(11-24)12-25-21)19-8-9-28(27-19)13-17-2-1-3-20(26-17)22(29)30/h1-10,12H,11,13,24H2,(H,29,30)
InChIKeyOUFDFFLBOWDBEY-UHFFFAOYSA-N
XLogP3.35
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-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 6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid (CID 168965100) is 6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid is NCc1cnc(-c2ccc(F)cc2)cc1-c1ccn(Cc2cccc(C(=O)O)n2)n1.
What is the InChIKey of 6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is OUFDFFLBOWDBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c23-16-6-4-14(5-7-16)21-10-18(15(11-24)12-25-21)19-8-9-28(27-19)13-17-2-1-3-20(26-17)22(29)30/h1-10,12H,11,13,24H2,(H,29,30).
What are the key properties of 6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid?
6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 403.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[5-(aminomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 168965100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).