7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-b]pyridine

C16H11FN4S — CID 162760816

IUPAC7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-b]pyridine
SMILESCn1cc(-c2ccnc3ccsc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C16H11FN4S/c1-21-9-12(11-4-6-18-14-5-7-22-16(11)14)15(20-21)13-3-2-10(17)8-19-13/h2-9H,1H3
InChIKeyACXUHMOKLZLDIE-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.90
Rot. Bonds2

About 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-b]pyridine

7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-b]pyridine (PubChem CID 162760816) has the molecular formula C16H11FN4S and a molecular weight of 310.36 g/mol. Its IUPAC name is 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-b]pyridine
PubChem CID162760816
Molecular FormulaC16H11FN4S
Molecular Weight310.36 g/mol
Exact Mass310.07
IUPAC Name7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-b]pyridine
SMILESCn1cc(-c2ccnc3ccsc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C16H11FN4S/c1-21-9-12(11-4-6-18-14-5-7-22-16(11)14)15(20-21)13-3-2-10(17)8-19-13/h2-9H,1H3
InChIKeyACXUHMOKLZLDIE-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

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-b]pyridine?
The IUPAC name of 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-b]pyridine (CID 162760816) is 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-b]pyridine.
What is the SMILES notation for 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-b]pyridine?
The canonical SMILES for 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-b]pyridine is Cn1cc(-c2ccnc3ccsc23)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-b]pyridine?
The InChIKey is ACXUHMOKLZLDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4S/c1-21-9-12(11-4-6-18-14-5-7-22-16(11)14)15(20-21)13-3-2-10(17)8-19-13/h2-9H,1H3.
What are the key properties of 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-b]pyridine?
7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-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 7-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]thieno[3,2-b]pyridine is sourced from PubChem (CID 162760816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).