4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine

C28H20N10 — CID 102326747

IUPAC4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine
SMILESc1cnn(-c2cc(-c3ccc(-c4cc(-n5cccn5)nc(-n5cccn5)c4)cc3)cc(-n3cccn3)n2)c1
InChIInChI=1S/C28H20N10/c1-9-29-35(13-1)25-17-23(18-26(33-25)36-14-2-10-30-36)21-5-7-22(8-6-21)24-19-27(37-15-3-11-31-37)34-28(20-24)38-16-4-12-32-38/h1-20H
InChIKeyOFFZSWMWGBYEJK-UHFFFAOYSA-N
MW496.54 g/mol
LogP4.55
Rot. Bonds6

About 4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine

4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine (PubChem CID 102326747) has the molecular formula C28H20N10 and a molecular weight of 496.54 g/mol. Its IUPAC name is 4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine.

Molecular Properties

Compound Name4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine
PubChem CID102326747
Molecular FormulaC28H20N10
Molecular Weight496.54 g/mol
Exact Mass496.19
IUPAC Name4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine
SMILESc1cnn(-c2cc(-c3ccc(-c4cc(-n5cccn5)nc(-n5cccn5)c4)cc3)cc(-n3cccn3)n2)c1
InChIInChI=1S/C28H20N10/c1-9-29-35(13-1)25-17-23(18-26(33-25)36-14-2-10-30-36)21-5-7-22(8-6-21)24-19-27(37-15-3-11-31-37)34-28(20-24)38-16-4-12-32-38/h1-20H
InChIKeyOFFZSWMWGBYEJK-UHFFFAOYSA-N
XLogP4.55
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-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

Related Compounds

4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
Dihydropyrrolopyrazole, 12
CID 21992881
N-(4-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)phenyl)-4-(1-methyl-4-(pyridin-3-yl)-1H-pyrazol-3-yl)pyridin-2-amine
CID 54584596
2-pyrazol-1-yl-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 56663574
3-(1-Benzylpyrazol-4-yl)-5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine
CID 155549407
7-benzyl-2-(pyridin-4-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 660787
US10954240, Example 12
CID 118930217
US10954240, Example 13
CID 118930255
4-(1-Pyridin-2-ylpyrazol-4-yl)quinoline
CID 70689779
US10954240, Example 9
CID 118930220

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine?
The IUPAC name of 4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine (CID 102326747) is 4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine.
What is the SMILES notation for 4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine?
The canonical SMILES for 4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine is c1cnn(-c2cc(-c3ccc(-c4cc(-n5cccn5)nc(-n5cccn5)c4)cc3)cc(-n3cccn3)n2)c1.
What is the InChIKey of 4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine?
The InChIKey is OFFZSWMWGBYEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N10/c1-9-29-35(13-1)25-17-23(18-26(33-25)36-14-2-10-30-36)21-5-7-22(8-6-21)24-19-27(37-15-3-11-31-37)34-28(20-24)38-16-4-12-32-38/h1-20H.
What are the key properties of 4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine?
4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine has a molecular weight of 496.54 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2,6-di(pyrazol-1-yl)-4-pyridinyl]phenyl]-2,6-di(pyrazol-1-yl)pyridine is sourced from PubChem (CID 102326747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).