5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile

C25H17F2N5O — CID 10138186

IUPAC5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile
SMILESCn1cncc1C(OCc1ccc(C#N)nc1-c1cc(F)cc(F)c1)c1ccc(C#N)cc1
InChIInChI=1S/C25H17F2N5O/c1-32-15-30-13-23(32)25(17-4-2-16(11-28)3-5-17)33-14-18-6-7-22(12-29)31-24(18)19-8-20(26)10-21(27)9-19/h2-10,13,15,25H,14H2,1H3
InChIKeyPNGSJEMFIGGIGE-UHFFFAOYSA-N
MW441.44 g/mol
LogP4.81
Rot. Bonds6

About 5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile

5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile (PubChem CID 10138186) has the molecular formula C25H17F2N5O and a molecular weight of 441.44 g/mol. Its IUPAC name is 5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile
PubChem CID10138186
Molecular FormulaC25H17F2N5O
Molecular Weight441.44 g/mol
Exact Mass441.14
IUPAC Name5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile
SMILESCn1cncc1C(OCc1ccc(C#N)nc1-c1cc(F)cc(F)c1)c1ccc(C#N)cc1
InChIInChI=1S/C25H17F2N5O/c1-32-15-30-13-23(32)25(17-4-2-16(11-28)3-5-17)33-14-18-6-7-22(12-29)31-24(18)19-8-20(26)10-21(27)9-19/h2-10,13,15,25H,14H2,1H3
InChIKeyPNGSJEMFIGGIGE-UHFFFAOYSA-N
XLogP4.81
TPSA87.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile?
The IUPAC name of 5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile (CID 10138186) is 5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile is Cn1cncc1C(OCc1ccc(C#N)nc1-c1cc(F)cc(F)c1)c1ccc(C#N)cc1.
What is the InChIKey of 5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile?
The InChIKey is PNGSJEMFIGGIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2N5O/c1-32-15-30-13-23(32)25(17-4-2-16(11-28)3-5-17)33-14-18-6-7-22(12-29)31-24(18)19-8-20(26)10-21(27)9-19/h2-10,13,15,25H,14H2,1H3.
What are the key properties of 5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile?
5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile has a molecular weight of 441.44 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-6-(3,5-difluorophenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 10138186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).