2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine

C20H21FN4 — CID 168965117

IUPAC2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine
SMILESCC1CC(c2cnc(-c3ccc(F)cc3)cc2-c2ccn(C)n2)CN1
InChIInChI=1S/C20H21FN4/c1-13-9-15(11-22-13)18-12-23-20(14-3-5-16(21)6-4-14)10-17(18)19-7-8-25(2)24-19/h3-8,10,12-13,15,22H,9,11H2,1-2H3
InChIKeyPQMBMKNQJBXSDF-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.75
Rot. Bonds3

About 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine

2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine (PubChem CID 168965117) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine
PubChem CID168965117
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine
SMILESCC1CC(c2cnc(-c3ccc(F)cc3)cc2-c2ccn(C)n2)CN1
InChIInChI=1S/C20H21FN4/c1-13-9-15(11-22-13)18-12-23-20(14-3-5-16(21)6-4-14)10-17(18)19-7-8-25(2)24-19/h3-8,10,12-13,15,22H,9,11H2,1-2H3
InChIKeyPQMBMKNQJBXSDF-UHFFFAOYSA-N
XLogP3.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine 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 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine?
The IUPAC name of 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine (CID 168965117) is 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine is CC1CC(c2cnc(-c3ccc(F)cc3)cc2-c2ccn(C)n2)CN1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine?
The InChIKey is PQMBMKNQJBXSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c1-13-9-15(11-22-13)18-12-23-20(14-3-5-16(21)6-4-14)10-17(18)19-7-8-25(2)24-19/h3-8,10,12-13,15,22H,9,11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine?
2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine has a molecular weight of 336.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(1-methylpyrazol-3-yl)-5-(5-methylpyrrolidin-3-yl)pyridine is sourced from PubChem (CID 168965117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).