4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile

C21H13F4N7O2 — CID 71138909

IUPAC4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile
SMILESN#Cc1cc(Oc2ccc(C(F)(F)C(O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)ccn1
InChIInChI=1S/C21H13F4N7O2/c22-13-1-3-17(18(23)7-13)20(33,11-32-12-29-30-31-32)21(24,25)19-4-2-16(10-28-19)34-15-5-6-27-14(8-15)9-26/h1-8,10,12,33H,11H2
InChIKeyLPNKVBMCXCNKFY-UHFFFAOYSA-N
MW471.37 g/mol
LogP3.09
Rot. Bonds7

About 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile

4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile (PubChem CID 71138909) has the molecular formula C21H13F4N7O2 and a molecular weight of 471.37 g/mol. Its IUPAC name is 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile
PubChem CID71138909
Molecular FormulaC21H13F4N7O2
Molecular Weight471.37 g/mol
Exact Mass471.11
IUPAC Name4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile
SMILESN#Cc1cc(Oc2ccc(C(F)(F)C(O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)ccn1
InChIInChI=1S/C21H13F4N7O2/c22-13-1-3-17(18(23)7-13)20(33,11-32-12-29-30-31-32)21(24,25)19-4-2-16(10-28-19)34-15-5-6-27-14(8-15)9-26/h1-8,10,12,33H,11H2
InChIKeyLPNKVBMCXCNKFY-UHFFFAOYSA-N
XLogP3.09
TPSA122.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]-2-fluorobenzonitrile
CID 151733319
1-[5-(3-chlorophenoxy)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
CID 71138799
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(pyridin-4-ylmethoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
CID 71139365
2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol
CID 134572212
1-[5-(2-chloropyrimidin-5-yl)-2-pyridinyl]-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
CID 71478182
1,1-difluoro-2-(2-fluoro-4-iodophenyl)-1-(5-methoxy-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol
CID 162591267
4-[[6-[1-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propan-2-yl]-3-pyridinyl]oxy]benzonitrile;4-[[6-[2-[(2,4-difluorophenyl)-difluoromethyl]oxiran-2-yl]-3-pyridinyl]oxy]benzonitrile
CID 160749814
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[2-[4-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]ethynyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
CID 86567844
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methoxyphenyl)pyrazin-2-yl]-3-(tetrazol-1-yl)propan-2-ol
CID 71138859
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(3-hydroxypropyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
CID 71143741
2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-(2,2,2-trifluoroethylsulfanyl)-2-pyridinyl]propan-2-ol
CID 71475733
1-(5-but-2-ynoxy-2-pyridinyl)-2-(4-chloro-2-fluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
CID 71138460

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile?
The IUPAC name of 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile (CID 71138909) is 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile is N#Cc1cc(Oc2ccc(C(F)(F)C(O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)ccn1.
What is the InChIKey of 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile?
The InChIKey is LPNKVBMCXCNKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N7O2/c22-13-1-3-17(18(23)7-13)20(33,11-32-12-29-30-31-32)21(24,25)19-4-2-16(10-28-19)34-15-5-6-27-14(8-15)9-26/h1-8,10,12,33H,11H2.
What are the key properties of 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile?
4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile has a molecular weight of 471.37 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]oxy]pyridine-2-carbonitrile is sourced from PubChem (CID 71138909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).