5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine

C26H23F3N4S — CID 167506541

IUPAC5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine
SMILESCCSc1cc(-c2ccc(C3CC3)cc2)cnc1-c1ncc(-c2cc(C(F)(F)F)ccn2)n1C
InChIInChI=1S/C26H23F3N4S/c1-3-34-23-12-19(18-8-6-17(7-9-18)16-4-5-16)14-31-24(23)25-32-15-22(33(25)2)21-13-20(10-11-30-21)26(27,28)29/h6-16H,3-5H2,1-2H3
InChIKeyFHVDAPRKKGXQNQ-UHFFFAOYSA-N
MW480.56 g/mol
LogP7.22
Rot. Bonds6

About 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine

5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine (PubChem CID 167506541) has the molecular formula C26H23F3N4S and a molecular weight of 480.56 g/mol. Its IUPAC name is 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine.

Molecular Properties

Compound Name5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine
PubChem CID167506541
Molecular FormulaC26H23F3N4S
Molecular Weight480.56 g/mol
Exact Mass480.16
IUPAC Name5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine
SMILESCCSc1cc(-c2ccc(C3CC3)cc2)cnc1-c1ncc(-c2cc(C(F)(F)F)ccn2)n1C
InChIInChI=1S/C26H23F3N4S/c1-3-34-23-12-19(18-8-6-17(7-9-18)16-4-5-16)14-31-24(23)25-32-15-22(33(25)2)21-13-20(10-11-30-21)26(27,28)29/h6-16H,3-5H2,1-2H3
InChIKeyFHVDAPRKKGXQNQ-UHFFFAOYSA-N
XLogP7.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine with MolForge

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Related Compounds

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
5-(4-cyclopropylphenyl)-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 167506885
2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole
CID 141491652
2-[5-(4-cyclopropylphenyl)-3-ethylsulfonyl-2-pyridinyl]-4-ethyl-3-fluoro-6-(trifluoromethyl)pyrrolo[3,2-b]pyridine
CID 168853864
2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430797
3-ethylsulfonyl-2-[5-(6-fluoro-3-pyridinyl)-1-methylimidazol-2-yl]-5-(trifluoromethyl)pyridine
CID 129040706
2-[5-(4-cyclopropylphenyl)-3-ethylsulfonyl-2-pyridinyl]-3-ethyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 168853948
2-[5-(4-chloro-2-ethylsulfanyl-5-nitrophenyl)-4-methyl-1,2,4-triazol-3-yl]-4-(trifluoromethyl)pyridine
CID 131987430
3-ethylsulfonyl-2-[5-(2-fluoro-4-pyridinyl)-1-methylimidazol-2-yl]-5-(trifluoromethyl)pyridine
CID 129040701
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275803
6-[5-(4-cyclopropylphenyl)-3-ethylsulfonyl-2-pyridinyl]-3-(1,1-difluoroethyl)-7-methylimidazo[4,5-c]pyridazine
CID 167506554
2-[5-(4-cyclopropylphenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine
CID 167506667

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine?
The IUPAC name of 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine (CID 167506541) is 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine.
What is the SMILES notation for 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine?
The canonical SMILES for 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine is CCSc1cc(-c2ccc(C3CC3)cc2)cnc1-c1ncc(-c2cc(C(F)(F)F)ccn2)n1C.
What is the InChIKey of 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine?
The InChIKey is FHVDAPRKKGXQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4S/c1-3-34-23-12-19(18-8-6-17(7-9-18)16-4-5-16)14-31-24(23)25-32-15-22(33(25)2)21-13-20(10-11-30-21)26(27,28)29/h6-16H,3-5H2,1-2H3.
What are the key properties of 5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine?
5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine has a molecular weight of 480.56 g/mol, XLogP of 7.22, 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-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine is sourced from PubChem (CID 167506541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).