4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile

C23H18F4N4O — CID 122539613

IUPAC4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(OC2CCN(c3ccnc(C(F)(F)F)c3)CC2)cn1
InChIInChI=1S/C23H18F4N4O/c24-16-3-1-15(2-4-16)20-11-17(13-28)30-14-21(20)32-19-6-9-31(10-7-19)18-5-8-29-22(12-18)23(25,26)27/h1-5,8,11-12,14,19H,6-7,9-10H2
InChIKeyDWSYXKSYBDSSRN-UHFFFAOYSA-N
MW442.42 g/mol
LogP5.22
Rot. Bonds4

About 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile

4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile (PubChem CID 122539613) has the molecular formula C23H18F4N4O and a molecular weight of 442.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile
PubChem CID122539613
Molecular FormulaC23H18F4N4O
Molecular Weight442.42 g/mol
Exact Mass442.14
IUPAC Name4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(OC2CCN(c3ccnc(C(F)(F)F)c3)CC2)cn1
InChIInChI=1S/C23H18F4N4O/c24-16-3-1-15(2-4-16)20-11-17(13-28)30-14-21(20)32-19-6-9-31(10-7-19)18-5-8-29-22(12-18)23(25,26)27/h1-5,8,11-12,14,19H,6-7,9-10H2
InChIKeyDWSYXKSYBDSSRN-UHFFFAOYSA-N
XLogP5.22
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile with MolForge

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Related Compounds

(R)-4-(3-(4-((3-Fluorophenyl)(hydroxy)(pyridin-2-yl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 71777738
3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]benzonitrile
CID 20744801
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
4-[4-[3-(4-Pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]benzonitrile
CID 162645254
1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
CID 162662563
4-(3-(4-((3-Fluorophenyl)(hydroxy)(pyridin-2-yl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 71777743
4-[3-[4-[(S)-(3-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propoxy]benzonitrile
CID 71777745
4-(4-Fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile
CID 154644627
2-(4-Methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine
CID 134817809
3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpyridine
CID 44391710
3-Fluoro-4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile
CID 127024910
2-Fluoro-4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile
CID 127024911

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile (CID 122539613) is 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile is N#Cc1cc(-c2ccc(F)cc2)c(OC2CCN(c3ccnc(C(F)(F)F)c3)CC2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile?
The InChIKey is DWSYXKSYBDSSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O/c24-16-3-1-15(2-4-16)20-11-17(13-28)30-14-21(20)32-19-6-9-31(10-7-19)18-5-8-29-22(12-18)23(25,26)27/h1-5,8,11-12,14,19H,6-7,9-10H2.
What are the key properties of 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile?
4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile has a molecular weight of 442.42 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 122539613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).