4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine

C16H11FN4S — CID 162760955

IUPAC4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine
SMILESCn1cc(-c2ccnc3sccc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C16H11FN4S/c1-21-9-13(11-4-6-18-16-12(11)5-7-22-16)15(20-21)14-3-2-10(17)8-19-14/h2-9H,1H3
InChIKeyOYCQQBZNHBWDEC-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.90
Rot. Bonds2

About 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine

4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine (PubChem CID 162760955) has the molecular formula C16H11FN4S and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine
PubChem CID162760955
Molecular FormulaC16H11FN4S
Molecular Weight310.36 g/mol
Exact Mass310.07
IUPAC Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine
SMILESCn1cc(-c2ccnc3sccc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C16H11FN4S/c1-21-9-13(11-4-6-18-16-12(11)5-7-22-16)15(20-21)14-3-2-10(17)8-19-14/h2-9H,1H3
InChIKeyOYCQQBZNHBWDEC-UHFFFAOYSA-N
XLogP3.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine?
The IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine (CID 162760955) is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine.
What is the SMILES notation for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine?
The canonical SMILES for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine is Cn1cc(-c2ccnc3sccc23)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine?
The InChIKey is OYCQQBZNHBWDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4S/c1-21-9-13(11-4-6-18-16-12(11)5-7-22-16)15(20-21)14-3-2-10(17)8-19-14/h2-9H,1H3.
What are the key properties of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine?
4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine has a molecular weight of 310.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[2,3-b]pyridine is sourced from PubChem (CID 162760955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).