2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine

C52H37N7O — CID 142439063

IUPAC2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine
SMILESCOc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccnn2-c2ccc(-c3ccccn3)cc2)cc(-c2ccnn2-c2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C52H37N7O/c1-60-52-35-38(49-14-6-9-29-55-49)19-24-46(52)45-11-3-2-10-44(45)39-32-40(50-25-30-56-58(50)42-20-15-36(16-21-42)47-12-4-7-27-53-47)34-41(33-39)51-26-31-57-59(51)43-22-17-37(18-23-43)48-13-5-8-28-54-48/h2-35H,1H3
InChIKeyIUMLYAFPHUOHLH-UHFFFAOYSA-N
MW775.92 g/mol
LogP11.92
Rot. Bonds10

About 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine (PubChem CID 142439063) has the molecular formula C52H37N7O and a molecular weight of 775.92 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine
PubChem CID142439063
Molecular FormulaC52H37N7O
Molecular Weight775.92 g/mol
Exact Mass775.31
IUPAC Name2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine
SMILESCOc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccnn2-c2ccc(-c3ccccn3)cc2)cc(-c2ccnn2-c2ccc(-c3ccccn3)cc2)c1
InChIInChI=1S/C52H37N7O/c1-60-52-35-38(49-14-6-9-29-55-49)19-24-46(52)45-11-3-2-10-44(45)39-32-40(50-25-30-56-58(50)42-20-15-36(16-21-42)47-12-4-7-27-53-47)34-41(33-39)51-26-31-57-59(51)43-22-17-37(18-23-43)48-13-5-8-28-54-48/h2-35H,1H3
InChIKeyIUMLYAFPHUOHLH-UHFFFAOYSA-N
XLogP11.92
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.92
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine?
The IUPAC name of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine (CID 142439063) is 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine?
The canonical SMILES for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine is COc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccnn2-c2ccc(-c3ccccn3)cc2)cc(-c2ccnn2-c2ccc(-c3ccccn3)cc2)c1.
What is the InChIKey of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine?
The InChIKey is IUMLYAFPHUOHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N7O/c1-60-52-35-38(49-14-6-9-29-55-49)19-24-46(52)45-11-3-2-10-44(45)39-32-40(50-25-30-56-58(50)42-20-15-36(16-21-42)47-12-4-7-27-53-47)34-41(33-39)51-26-31-57-59(51)43-22-17-37(18-23-43)48-13-5-8-28-54-48/h2-35H,1H3.
What are the key properties of 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine?
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine has a molecular weight of 775.92 g/mol, XLogP of 11.92, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)pyrazol-3-yl]phenyl]phenyl]-3-methoxyphenyl]pyridine is sourced from PubChem (CID 142439063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).