methyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate

C21H15FN2O2S — CID 139911656

IUPACmethyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cc2c(-c3ccncc3)c(-c3ccc(F)cc3)sc2nc1C
InChIInChI=1S/C21H15FN2O2S/c1-12-16(21(25)26-2)11-17-18(13-7-9-23-10-8-13)19(27-20(17)24-12)14-3-5-15(22)6-4-14/h3-11H,1-2H3
InChIKeyOCSTWDNQJBSIHR-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.26
Rot. Bonds3

About methyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate

methyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate (PubChem CID 139911656) has the molecular formula C21H15FN2O2S and a molecular weight of 378.43 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate
PubChem CID139911656
Molecular FormulaC21H15FN2O2S
Molecular Weight378.43 g/mol
Exact Mass378.08
IUPAC Namemethyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cc2c(-c3ccncc3)c(-c3ccc(F)cc3)sc2nc1C
InChIInChI=1S/C21H15FN2O2S/c1-12-16(21(25)26-2)11-17-18(13-7-9-23-10-8-13)19(27-20(17)24-12)14-3-5-15(22)6-4-14/h3-11H,1-2H3
InChIKeyOCSTWDNQJBSIHR-UHFFFAOYSA-N
XLogP5.26
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4-(4-fluorophenyl)-5-pyridin-4-ylthiophene-3-carboxylate
CID 139906318
methyl 5-(4-fluorophenyl)-4-methylthiophene-3-carboxylate
CID 114835353
methyl 2-bromo-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 66844651
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
methyl 6-fluoroisoquinoline-8-carboxylate
CID 122163275
methyl 3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoate
CID 142384350
methyl 5-amino-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988420
dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate
CID 139216527
N-[[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]methyl]acetamide
CID 139906321
ethane;methyl 2-amino-5-chloro-4-(4-fluorophenyl)-3-methylbenzoate
CID 156797704
methyl 2,4-dipyridin-4-ylbenzoate
CID 46317525
methyl 4-(4-fluorophenyl)pyridine-2-carboxylate
CID 54226711

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate (CID 139911656) is methyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate is COC(=O)c1cc2c(-c3ccncc3)c(-c3ccc(F)cc3)sc2nc1C.
What is the InChIKey of methyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate?
The InChIKey is OCSTWDNQJBSIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2S/c1-12-16(21(25)26-2)11-17-18(13-7-9-23-10-8-13)19(27-20(17)24-12)14-3-5-15(22)6-4-14/h3-11H,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate?
methyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-6-methyl-3-pyridin-4-ylthieno[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 139911656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).