2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine

C50H36N8 — CID 139198225

IUPAC2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cc(-c3ccccn3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/2C25H18N4/c2*1-2-7-20(8-3-1)24-17-21(18-25(28-24)23-9-4-5-14-26-23)19-10-12-22(13-11-19)29-16-6-15-27-29/h2*1-18H
InChIKeyRXTXORQZIMARNX-UHFFFAOYSA-N
MW748.89 g/mol
LogP11.33
Rot. Bonds8

About 2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine

2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine (PubChem CID 139198225) has the molecular formula C50H36N8 and a molecular weight of 748.89 g/mol. Its IUPAC name is 2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine
PubChem CID139198225
Molecular FormulaC50H36N8
Molecular Weight748.89 g/mol
Exact Mass748.31
IUPAC Name2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cc(-c3ccccn3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cc(-c3ccccn3)n2)cc1
InChIInChI=1S/2C25H18N4/c2*1-2-7-20(8-3-1)24-17-21(18-25(28-24)23-9-4-5-14-26-23)19-10-12-22(13-11-19)29-16-6-15-27-29/h2*1-18H
InChIKeyRXTXORQZIMARNX-UHFFFAOYSA-N
XLogP11.33
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.89
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine 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-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine?
The IUPAC name of 2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine (CID 139198225) is 2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine is c1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cc(-c3ccccn3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4cccn4)cc3)cc(-c3ccccn3)n2)cc1.
What is the InChIKey of 2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine?
The InChIKey is RXTXORQZIMARNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H18N4/c2*1-2-7-20(8-3-1)24-17-21(18-25(28-24)23-9-4-5-14-26-23)19-10-12-22(13-11-19)29-16-6-15-27-29/h2*1-18H.
What are the key properties of 2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine?
2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine has a molecular weight of 748.89 g/mol, XLogP of 11.33, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-pyrazol-1-ylphenyl)-6-pyridin-2-ylpyridine is sourced from PubChem (CID 139198225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).