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

C15H13FN4OS — CID 24746959

IUPAC2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1
InChIInChI=1S/C15H13FN4OS/c1-17-13(21)9-22-15-19-12-3-2-8-18-14(12)20(15)11-6-4-10(16)5-7-11/h2-8H,9H2,1H3,(H,17,21)
InChIKeyHOLXXEVGLUVXCZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.40
Rot. Bonds4

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

2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-N-methylacetamide (PubChem CID 24746959) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-N-methylacetamide
PubChem CID24746959
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC Name2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1
InChIInChI=1S/C15H13FN4OS/c1-17-13(21)9-22-15-19-12-3-2-8-18-14(12)20(15)11-6-4-10(16)5-7-11/h2-8H,9H2,1H3,(H,17,21)
InChIKeyHOLXXEVGLUVXCZ-UHFFFAOYSA-N
XLogP2.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-N-methylacetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-N-methylacetamide (CID 24746959) is 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-N-methylacetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-N-methylacetamide is CNC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-N-methylacetamide?
The InChIKey is HOLXXEVGLUVXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS/c1-17-13(21)9-22-15-19-12-3-2-8-18-14(12)20(15)11-6-4-10(16)5-7-11/h2-8H,9H2,1H3,(H,17,21).
What are the key properties of 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-N-methylacetamide?
2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-N-methylacetamide has a molecular weight of 316.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 24746959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).