N-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium

C37H26FN6O3+ — CID 154644706

IUPACN-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium
SMILESCOc1nc(-c2ccc([N+]#Cc3c(-c4ccc(F)cc4)cc(-c4ccccn4)nc3OCCO)cc2)cc(-c2ccccn2)c1C#N
InChIInChI=1S/C37H26FN6O3/c1-46-36-30(22-39)29(32-6-2-4-16-40-32)21-34(43-36)25-10-14-27(15-11-25)42-23-31-28(24-8-12-26(38)13-9-24)20-35(33-7-3-5-17-41-33)44-37(31)47-19-18-45/h2-17,20-21,45H,18-19H2,1H3/q+1
InChIKeyNRQZZQUWWBFLPZ-UHFFFAOYSA-N
MW621.65 g/mol
LogP7.34
Rot. Bonds8

About N-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium

N-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium (PubChem CID 154644706) has the molecular formula C37H26FN6O3+ and a molecular weight of 621.65 g/mol. Its IUPAC name is N-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium.

Molecular Properties

Compound NameN-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium
PubChem CID154644706
Molecular FormulaC37H26FN6O3+
Molecular Weight621.65 g/mol
Exact Mass621.20
IUPAC NameN-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium
SMILESCOc1nc(-c2ccc([N+]#Cc3c(-c4ccc(F)cc4)cc(-c4ccccn4)nc3OCCO)cc2)cc(-c2ccccn2)c1C#N
InChIInChI=1S/C37H26FN6O3/c1-46-36-30(22-39)29(32-6-2-4-16-40-32)21-34(43-36)25-10-14-27(15-11-25)42-23-31-28(24-8-12-26(38)13-9-24)20-35(33-7-3-5-17-41-33)44-37(31)47-19-18-45/h2-17,20-21,45H,18-19H2,1H3/q+1
InChIKeyNRQZZQUWWBFLPZ-UHFFFAOYSA-N
XLogP7.34
TPSA118.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.65
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium with MolForge

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Launch Full Analysis

Related Compounds

4-(4-Fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile
CID 154644627
4-(4-Fluorophenyl)-2-prop-2-enoxy-6-pyridin-2-ylpyridine-3-carbonitrile
CID 154644717
Ethanol, 2-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-
CID 368990
[5-[5-[2-[3-(2-Ethoxy-5-fluoro-4-pyridinyl)-6-(hydroxymethyl)pyrazin-2-yl]ethyl]-2-methoxy-4-pyridinyl]-6-methylpyrazin-2-yl]methanol
CID 142593676
Methyl 2-[2-[[3-cyano-4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-pyridinyl]oxy]ethoxy]acetate
CID 154644622
4-(4-Fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-morpholin-4-ylethoxy)pyridine-3-carbonitrile
CID 154644628
N-[6-[4-(4-aminophenyl)-5-cyano-6-methoxy-2-pyridinyl]-5-methyl-3-pyridinyl]-4-(4-fluorophenyl)-6-(3-hydroxyphenyl)-2-methoxypyridine-3-carbonitrilium
CID 154644641
N-[6-[4-(4-aminophenyl)-5-cyano-6-methoxy-2-pyridinyl]-5-methyl-3-pyridinyl]-4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2-methoxypyridine-3-carbonitrilium
CID 154644643
4-(4-Fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile
CID 154644648
4-(4-Fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]-6-pyridin-2-ylpyridine-3-carbonitrile
CID 154644650
Ethyl 4-[2-[[3-cyano-4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-pyridinyl]oxy]ethyl]piperazine-1-carboxylate
CID 154644662
4-(4-Fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-4-ylmethoxy)pyridine-3-carbonitrile
CID 154644665

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium?
The IUPAC name of N-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium (CID 154644706) is N-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium.
What is the SMILES notation for N-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium?
The canonical SMILES for N-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium is COc1nc(-c2ccc([N+]#Cc3c(-c4ccc(F)cc4)cc(-c4ccccn4)nc3OCCO)cc2)cc(-c2ccccn2)c1C#N.
What is the InChIKey of N-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium?
The InChIKey is NRQZZQUWWBFLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26FN6O3/c1-46-36-30(22-39)29(32-6-2-4-16-40-32)21-34(43-36)25-10-14-27(15-11-25)42-23-31-28(24-8-12-26(38)13-9-24)20-35(33-7-3-5-17-41-33)44-37(31)47-19-18-45/h2-17,20-21,45H,18-19H2,1H3/q+1.
What are the key properties of N-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium?
N-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium has a molecular weight of 621.65 g/mol, XLogP of 7.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyano-6-methoxy-4-pyridin-2-yl-2-pyridinyl)phenyl]-4-(4-fluorophenyl)-2-(2-hydroxyethoxy)-6-pyridin-2-ylpyridine-3-carbonitrilium is sourced from PubChem (CID 154644706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).