2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

C26H22F3N3OS — CID 89409047

IUPAC2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESC=C(CSc1nc(-c2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)c1C#N)N1CCOCC1
InChIInChI=1S/C26H22F3N3OS/c1-18(32-11-13-33-14-12-32)17-34-25-23(16-30)22(15-24(31-25)20-5-3-2-4-6-20)19-7-9-21(10-8-19)26(27,28)29/h2-10,15H,1,11-14,17H2
InChIKeyBZYBCTFHWPIHFK-UHFFFAOYSA-N
MW481.54 g/mol
LogP6.24
Rot. Bonds6

About 2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 89409047) has the molecular formula C26H22F3N3OS and a molecular weight of 481.54 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
PubChem CID89409047
Molecular FormulaC26H22F3N3OS
Molecular Weight481.54 g/mol
Exact Mass481.14
IUPAC Name2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESC=C(CSc1nc(-c2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)c1C#N)N1CCOCC1
InChIInChI=1S/C26H22F3N3OS/c1-18(32-11-13-33-14-12-32)17-34-25-23(16-30)22(15-24(31-25)20-5-3-2-4-6-20)19-7-9-21(10-8-19)26(27,28)29/h2-10,15H,1,11-14,17H2
InChIKeyBZYBCTFHWPIHFK-UHFFFAOYSA-N
XLogP6.24
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.54
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile with MolForge

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Related Compounds

4-Methyl-2-(2-morpholin-4-ylethylsulfanyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 690946
4,6-Dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile
CID 919961
2-{[(4-Amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thio}-6-phenyl-4-(trifluoromethyl)nicotinonitrile
CID 1045636
Ethyl 2-[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridylthio]acetate
CID 1128972
6-(3,4-Dichlorophenyl)-2-{[2-(4-morpholinyl)ethyl]thio}-4-(trifluoromethyl)nicotinonitrile
CID 1301867
2-(2-Morpholin-4-yl-2-oxo-ethylsulfanyl)-6-phenyl-4-trifluoromethyl-nicotinonitrile
CID 1128971
2-(2-Morpholin-4-yl-ethylsulfanyl)-6-phenyl-4-trifluoromethyl-nicotinonitrile
CID 1086366
2-{[2-(4-Morpholinyl)ethyl]sulfanyl}-6-phenylnicotinonitrile
CID 902361
2-{[2-(Morpholin-4-yl)-2-oxoethyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile
CID 1038660
6-Cyclopropyl-2-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 1086469
2-{[2-Hydroxy-3-(4-thiomorpholinyl)propyl]thio}-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile
CID 2942755
6-methyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 1086379

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CID 89409047) is 2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is C=C(CSc1nc(-c2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)c1C#N)N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is BZYBCTFHWPIHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3OS/c1-18(32-11-13-33-14-12-32)17-34-25-23(16-30)22(15-24(31-25)20-5-3-2-4-6-20)19-7-9-21(10-8-19)26(27,28)29/h2-10,15H,1,11-14,17H2.
What are the key properties of 2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 481.54 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylprop-2-enylsulfanyl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 89409047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).