2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine

C18H16N4S — CID 24880913

IUPAC2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine
SMILESCCc1cc(-c2cc3cnccc3s2)n(-c2cccc(C)n2)n1
InChIInChI=1S/C18H16N4S/c1-3-14-10-15(17-9-13-11-19-8-7-16(13)23-17)22(21-14)18-6-4-5-12(2)20-18/h4-11H,3H2,1-2H3
InChIKeyMHHYZOIPYYNHIX-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.41
Rot. Bonds3

About 2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine

2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine (PubChem CID 24880913) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine
PubChem CID24880913
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine
SMILESCCc1cc(-c2cc3cnccc3s2)n(-c2cccc(C)n2)n1
InChIInChI=1S/C18H16N4S/c1-3-14-10-15(17-9-13-11-19-8-7-16(13)23-17)22(21-14)18-6-4-5-12(2)20-18/h4-11H,3H2,1-2H3
InChIKeyMHHYZOIPYYNHIX-UHFFFAOYSA-N
XLogP4.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine?
The IUPAC name of 2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine (CID 24880913) is 2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine.
What is the SMILES notation for 2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine?
The canonical SMILES for 2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine is CCc1cc(-c2cc3cnccc3s2)n(-c2cccc(C)n2)n1.
What is the InChIKey of 2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine?
The InChIKey is MHHYZOIPYYNHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-3-14-10-15(17-9-13-11-19-8-7-16(13)23-17)22(21-14)18-6-4-5-12(2)20-18/h4-11H,3H2,1-2H3.
What are the key properties of 2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine?
2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine has a molecular weight of 320.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine is sourced from PubChem (CID 24880913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).