2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine

C51H36F2N4 — CID 159426046

IUPAC2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C([2H])([2H])[2H])cn5)cc4)cc(-c4cc(F)c(F)cc4-c4cn[nH]c4)c3)cc2)nc1
InChIInChI=1S/C51H36F2N4/c1-32-11-21-50(54-28-32)36-17-13-34(14-18-36)42-7-3-5-9-44(42)38-23-39(25-40(24-38)46-26-48(52)49(53)27-47(46)41-30-56-57-31-41)45-10-6-4-8-43(45)35-15-19-37(20-16-35)51-22-12-33(2)29-55-51/h3-31H,1-2H3,(H,56,57)/i1D3,2D3
InChIKeyLQJCOVXLSOKHKI-WFGJKAKNSA-N
MW748.91 g/mol
LogP13.43
Rot. Bonds10

About 2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine

2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine (PubChem CID 159426046) has the molecular formula C51H36F2N4 and a molecular weight of 748.91 g/mol. Its IUPAC name is 2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine
PubChem CID159426046
Molecular FormulaC51H36F2N4
Molecular Weight748.91 g/mol
Exact Mass748.33
IUPAC Name2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C([2H])([2H])[2H])cn5)cc4)cc(-c4cc(F)c(F)cc4-c4cn[nH]c4)c3)cc2)nc1
InChIInChI=1S/C51H36F2N4/c1-32-11-21-50(54-28-32)36-17-13-34(14-18-36)42-7-3-5-9-44(42)38-23-39(25-40(24-38)46-26-48(52)49(53)27-47(46)41-30-56-57-31-41)45-10-6-4-8-43(45)35-15-19-37(20-16-35)51-22-12-33(2)29-55-51/h3-31H,1-2H3,(H,56,57)/i1D3,2D3
InChIKeyLQJCOVXLSOKHKI-WFGJKAKNSA-N
XLogP13.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.91
LogP ≤ 513.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine with MolForge

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Related Compounds

GW-6604
CID 9861063
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
2-(4-Isopropylphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11717091
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093324
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
2-[4-methylphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl pyridine
CID 9836405
2-[4-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9925372
4-[3-(2-Pyridinyl)-1h-pyrazol-4-yl]-2-[4-(1-pyrrolidinylmethyl)phenyl]pyridine
CID 10293214
2-[3-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11588676
2-[2-fluorophenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11638261

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine?
The IUPAC name of 2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine (CID 159426046) is 2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine?
The canonical SMILES for 2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccc(C([2H])([2H])[2H])cn5)cc4)cc(-c4cc(F)c(F)cc4-c4cn[nH]c4)c3)cc2)nc1.
What is the InChIKey of 2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine?
The InChIKey is LQJCOVXLSOKHKI-WFGJKAKNSA-N. The full InChI is InChI=1S/C51H36F2N4/c1-32-11-21-50(54-28-32)36-17-13-34(14-18-36)42-7-3-5-9-44(42)38-23-39(25-40(24-38)46-26-48(52)49(53)27-47(46)41-30-56-57-31-41)45-10-6-4-8-43(45)35-15-19-37(20-16-35)51-22-12-33(2)29-55-51/h3-31H,1-2H3,(H,56,57)/i1D3,2D3.
What are the key properties of 2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine?
2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine has a molecular weight of 748.91 g/mol, XLogP of 13.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3-[4,5-difluoro-2-(1H-pyrazol-4-yl)phenyl]-5-[2-[4-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 159426046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).