1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone

C15H12FN3OS — CID 651226

IUPAC1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
SMILESCn1c(SCC(=O)c2ccc(F)cc2)nc2cccnc21
InChIInChI=1S/C15H12FN3OS/c1-19-14-12(3-2-8-17-14)18-15(19)21-9-13(20)10-4-6-11(16)7-5-10/h2-8H,9H2,1H3
InChIKeyFQUSUYBKQGWUQJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.08
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone

1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone (PubChem CID 651226) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
PubChem CID651226
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
SMILESCn1c(SCC(=O)c2ccc(F)cc2)nc2cccnc21
InChIInChI=1S/C15H12FN3OS/c1-19-14-12(3-2-8-17-14)18-15(19)21-9-13(20)10-4-6-11(16)7-5-10/h2-8H,9H2,1H3
InChIKeyFQUSUYBKQGWUQJ-UHFFFAOYSA-N
XLogP3.08
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone (CID 651226) is 1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone is Cn1c(SCC(=O)c2ccc(F)cc2)nc2cccnc21.
What is the InChIKey of 1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
The InChIKey is FQUSUYBKQGWUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-19-14-12(3-2-8-17-14)18-15(19)21-9-13(20)10-4-6-11(16)7-5-10/h2-8H,9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone has a molecular weight of 301.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone is sourced from PubChem (CID 651226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).