5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine

C16H12N4S — CID 171934755

IUPAC5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine
SMILESCn1cc(-c2ccc3scc(-c4ccncc4)c3n2)cn1
InChIInChI=1S/C16H12N4S/c1-20-9-12(8-18-20)14-2-3-15-16(19-14)13(10-21-15)11-4-6-17-7-5-11/h2-10H,1H3
InChIKeyYILJPZBPSVVVEP-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.76
Rot. Bonds2

About 5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine

5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine (PubChem CID 171934755) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine
PubChem CID171934755
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine
SMILESCn1cc(-c2ccc3scc(-c4ccncc4)c3n2)cn1
InChIInChI=1S/C16H12N4S/c1-20-9-12(8-18-20)14-2-3-15-16(19-14)13(10-21-15)11-4-6-17-7-5-11/h2-10H,1H3
InChIKeyYILJPZBPSVVVEP-UHFFFAOYSA-N
XLogP3.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine (CID 171934755) is 5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine is Cn1cc(-c2ccc3scc(-c4ccncc4)c3n2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine?
The InChIKey is YILJPZBPSVVVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-20-9-12(8-18-20)14-2-3-15-16(19-14)13(10-21-15)11-4-6-17-7-5-11/h2-10H,1H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine?
5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine has a molecular weight of 292.37 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-pyridin-4-ylthieno[3,2-b]pyridine is sourced from PubChem (CID 171934755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).