2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide

C23H26FN5O2S — CID 50899368

IUPAC2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(C)=O)c1
InChIInChI=1S/C23H26FN5O2S/c1-5-28(6-2)20(31)14-29-22(17-11-12-25-19(13-17)26-15(3)30)21(27-23(29)32-4)16-7-9-18(24)10-8-16/h7-13H,5-6,14H2,1-4H3,(H,25,26,30)
InChIKeyUXFYWGIBVQBLMV-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.30
Rot. Bonds8

About 2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide

2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide (PubChem CID 50899368) has the molecular formula C23H26FN5O2S and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide
PubChem CID50899368
Molecular FormulaC23H26FN5O2S
Molecular Weight455.56 g/mol
Exact Mass455.18
IUPAC Name2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(C)=O)c1
InChIInChI=1S/C23H26FN5O2S/c1-5-28(6-2)20(31)14-29-22(17-11-12-25-19(13-17)26-15(3)30)21(27-23(29)32-4)16-7-9-18(24)10-8-16/h7-13H,5-6,14H2,1-4H3,(H,25,26,30)
InChIKeyUXFYWGIBVQBLMV-UHFFFAOYSA-N
XLogP4.30
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Cbs-3595
CID 11639342
{4-[5-(4-Fluoro-phenyl)-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-(1-phenyl-ethyl)-amine
CID 10862355
ML-3403
CID 6419739
4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridine
CID 9795838
4-(2-Fluorophenyl)-12-(pyridin-4-ylmethyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 9976743
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}propionamide
CID 44444862
N-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}butyramide
CID 44444864
N-(2-Fluoro-phenyl)-2-(5-phenyl-1H-imidazol-2-ylsulfanyl)-acetamide
CID 1116757
N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 866687
2-{4-[4-(4-Fluoro-phenyl)-3-(2-methoxy-ethyl)-2-methylsulfanyl-1H-imidazol-5-yl]-pyridin-2-ylamino}-propan-1-ol
CID 24905909
4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)-N-(tetrahydro-2H-pyran-4-yl)pyridin-2-amine
CID 44593521
N-[4-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]amino]phenyl]-3-(propanoylamino)benzamide
CID 137652755

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide (CID 50899368) is 2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC(C)=O)c1.
What is the InChIKey of 2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide?
The InChIKey is UXFYWGIBVQBLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2S/c1-5-28(6-2)20(31)14-29-22(17-11-12-25-19(13-17)26-15(3)30)21(27-23(29)32-4)16-7-9-18(24)10-8-16/h7-13H,5-6,14H2,1-4H3,(H,25,26,30).
What are the key properties of 2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide?
2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide has a molecular weight of 455.56 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 50899368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).