5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine

C22H19F5N4S — CID 175586904

IUPAC5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine
SMILESCCSc1cc(-c2ccc(C3CC3)cc2)cnc1-c1nnc(/C(F)=C(/F)C(F)(F)F)n1C
InChIInChI=1S/C22H19F5N4S/c1-3-32-16-10-15(14-8-6-13(7-9-14)12-4-5-12)11-28-18(16)21-30-29-20(31(21)2)17(23)19(24)22(25,26)27/h6-12H,3-5H2,1-2H3/b19-17-
InChIKeySHNCUMAGXMHVKE-ZPHPHTNESA-N
MW466.48 g/mol
LogP6.70
Rot. Bonds6

About 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine

5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine (PubChem CID 175586904) has the molecular formula C22H19F5N4S and a molecular weight of 466.48 g/mol. Its IUPAC name is 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine
PubChem CID175586904
Molecular FormulaC22H19F5N4S
Molecular Weight466.48 g/mol
Exact Mass466.13
IUPAC Name5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine
SMILESCCSc1cc(-c2ccc(C3CC3)cc2)cnc1-c1nnc(/C(F)=C(/F)C(F)(F)F)n1C
InChIInChI=1S/C22H19F5N4S/c1-3-32-16-10-15(14-8-6-13(7-9-14)12-4-5-12)11-28-18(16)21-30-29-20(31(21)2)17(23)19(24)22(25,26)27/h6-12H,3-5H2,1-2H3/b19-17-
InChIKeySHNCUMAGXMHVKE-ZPHPHTNESA-N
XLogP6.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.48
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine (CID 175586904) is 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine is CCSc1cc(-c2ccc(C3CC3)cc2)cnc1-c1nnc(/C(F)=C(/F)C(F)(F)F)n1C.
What is the InChIKey of 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine?
The InChIKey is SHNCUMAGXMHVKE-ZPHPHTNESA-N. The full InChI is InChI=1S/C22H19F5N4S/c1-3-32-16-10-15(14-8-6-13(7-9-14)12-4-5-12)11-28-18(16)21-30-29-20(31(21)2)17(23)19(24)22(25,26)27/h6-12H,3-5H2,1-2H3/b19-17-.
What are the key properties of 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine?
5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine has a molecular weight of 466.48 g/mol, XLogP of 6.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[4-methyl-5-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 175586904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).