2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide

C16H15FN4OS — CID 4667582

IUPAC2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccccc2F)nc2cccnc21
InChIInChI=1S/C16H15FN4OS/c1-2-21-15-13(8-5-9-18-15)20-16(21)23-10-14(22)19-12-7-4-3-6-11(12)17/h3-9H,2,10H2,1H3,(H,19,22)
InChIKeyXFKUPTPHIKZNGX-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.32
Rot. Bonds5

About 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide

2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 4667582) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID4667582
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCCn1c(SCC(=O)Nc2ccccc2F)nc2cccnc21
InChIInChI=1S/C16H15FN4OS/c1-2-21-15-13(8-5-9-18-15)20-16(21)23-10-14(22)19-12-7-4-3-6-11(12)17/h3-9H,2,10H2,1H3,(H,19,22)
InChIKeyXFKUPTPHIKZNGX-UHFFFAOYSA-N
XLogP3.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 3214175
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4012996
N-(2,6-difluorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7246603
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 2193185
N-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7713171
N-(2-ethylphenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]acetamide
CID 20908533
N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4241104
methyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]benzoate
CID 3214198
N-(2-fluorophenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 20879243
2-[[4-ethyl-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 1092782
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 1174565
2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
CID 1315698

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide (CID 4667582) is 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide is CCn1c(SCC(=O)Nc2ccccc2F)nc2cccnc21.
What is the InChIKey of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is XFKUPTPHIKZNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-2-21-15-13(8-5-9-18-15)20-16(21)23-10-14(22)19-12-7-4-3-6-11(12)17/h3-9H,2,10H2,1H3,(H,19,22).
What are the key properties of 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 330.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 4667582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).