6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile

C23H17FN4O2 — CID 70667497

IUPAC6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cnc(-c3ccc(F)cc3)[nH]2)ccc1OCc1ccc(C#N)cn1
InChIInChI=1S/C23H17FN4O2/c1-29-22-10-17(20-13-27-23(28-20)16-3-6-18(24)7-4-16)5-9-21(22)30-14-19-8-2-15(11-25)12-26-19/h2-10,12-13H,14H2,1H3,(H,27,28)
InChIKeyQUSWHCOMEUMATF-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.74
Rot. Bonds6

About 6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile

6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile (PubChem CID 70667497) has the molecular formula C23H17FN4O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is 6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile
PubChem CID70667497
Molecular FormulaC23H17FN4O2
Molecular Weight400.41 g/mol
Exact Mass400.13
IUPAC Name6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cnc(-c3ccc(F)cc3)[nH]2)ccc1OCc1ccc(C#N)cn1
InChIInChI=1S/C23H17FN4O2/c1-29-22-10-17(20-13-27-23(28-20)16-3-6-18(24)7-4-16)5-9-21(22)30-14-19-8-2-15(11-25)12-26-19/h2-10,12-13H,14H2,1H3,(H,27,28)
InChIKeyQUSWHCOMEUMATF-UHFFFAOYSA-N
XLogP4.74
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 70667462
4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenol
CID 70667347
4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
CID 103054689
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
2-[[4-(2-cyclopentyl-1H-imidazol-5-yl)-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 146407301
2-[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]acetonitrile
CID 82386420
4-[[5-(ethylamino)pyrazin-2-yl]methoxy]-3-methoxybenzonitrile
CID 103058089
5-bromo-2-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]benzonitrile
CID 58510193
6-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine-3-carbonitrile
CID 170746832
2-[[4-[2-(4-ethyl-4-fluorocyclohexyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 162612684
5-[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methylsulfinylpyrimidine
CID 174640688
3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile (CID 70667497) is 6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile is COc1cc(-c2cnc(-c3ccc(F)cc3)[nH]2)ccc1OCc1ccc(C#N)cn1.
What is the InChIKey of 6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile?
The InChIKey is QUSWHCOMEUMATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2/c1-29-22-10-17(20-13-27-23(28-20)16-3-6-18(24)7-4-16)5-9-21(22)30-14-19-8-2-15(11-25)12-26-19/h2-10,12-13H,14H2,1H3,(H,27,28).
What are the key properties of 6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile?
6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile has a molecular weight of 400.41 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-2-methoxyphenoxy]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 70667497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).