3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile

C24H26F3N3O2 — CID 175624701

IUPAC3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile
SMILESN#Cc1cccc(C2CN(c3cncc(OCC4CCC(C(F)(F)F)CC4)c3)CCO2)c1
InChIInChI=1S/C24H26F3N3O2/c25-24(26,27)20-6-4-17(5-7-20)16-32-22-11-21(13-29-14-22)30-8-9-31-23(15-30)19-3-1-2-18(10-19)12-28/h1-3,10-11,13-14,17,20,23H,4-9,15-16H2
InChIKeyAZCJWOBWOHQMLM-UHFFFAOYSA-N
MW445.49 g/mol
LogP5.28
Rot. Bonds5

About 3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile

3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile (PubChem CID 175624701) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is 3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile
PubChem CID175624701
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC Name3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile
SMILESN#Cc1cccc(C2CN(c3cncc(OCC4CCC(C(F)(F)F)CC4)c3)CCO2)c1
InChIInChI=1S/C24H26F3N3O2/c25-24(26,27)20-6-4-17(5-7-20)16-32-22-11-21(13-29-14-22)30-8-9-31-23(15-30)19-3-1-2-18(10-19)12-28/h1-3,10-11,13-14,17,20,23H,4-9,15-16H2
InChIKeyAZCJWOBWOHQMLM-UHFFFAOYSA-N
XLogP5.28
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile 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
4-[2-(4-Methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile
CID 127027348
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
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
4-[2-(4-Fluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile
CID 127027036
4-[2-(3,4-Difluorophenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile
CID 127027037
4-[5-(Piperidin-4-ylmethoxy)-2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]benzonitrile
CID 127027039
4-[2-(3-Methylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile
CID 127027349
4-[2-(4-Ethylphenyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile
CID 127027685

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile?
The IUPAC name of 3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile (CID 175624701) is 3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile.
What is the SMILES notation for 3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile?
The canonical SMILES for 3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile is N#Cc1cccc(C2CN(c3cncc(OCC4CCC(C(F)(F)F)CC4)c3)CCO2)c1.
What is the InChIKey of 3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile?
The InChIKey is AZCJWOBWOHQMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c25-24(26,27)20-6-4-17(5-7-20)16-32-22-11-21(13-29-14-22)30-8-9-31-23(15-30)19-3-1-2-18(10-19)12-28/h1-3,10-11,13-14,17,20,23H,4-9,15-16H2.
What are the key properties of 3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile?
3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile has a molecular weight of 445.49 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[[4-(trifluoromethyl)cyclohexyl]methoxy]-3-pyridinyl]morpholin-2-yl]benzonitrile is sourced from PubChem (CID 175624701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).