4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine

C18H23N5S — CID 126808096

IUPAC4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine
SMILESCCn1cc(CCN2CCN(c3nccc4sccc34)CC2)cn1
InChIInChI=1S/C18H23N5S/c1-2-23-14-15(13-20-23)4-7-21-8-10-22(11-9-21)18-16-5-12-24-17(16)3-6-19-18/h3,5-6,12-14H,2,4,7-11H2,1H3
InChIKeyFPLQVUQVLNSHGF-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.88
Rot. Bonds5

About 4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine

4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine (PubChem CID 126808096) has the molecular formula C18H23N5S and a molecular weight of 341.48 g/mol. Its IUPAC name is 4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine
PubChem CID126808096
Molecular FormulaC18H23N5S
Molecular Weight341.48 g/mol
Exact Mass341.17
IUPAC Name4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine
SMILESCCn1cc(CCN2CCN(c3nccc4sccc34)CC2)cn1
InChIInChI=1S/C18H23N5S/c1-2-23-14-15(13-20-23)4-7-21-8-10-22(11-9-21)18-16-5-12-24-17(16)3-6-19-18/h3,5-6,12-14H,2,4,7-11H2,1H3
InChIKeyFPLQVUQVLNSHGF-UHFFFAOYSA-N
XLogP2.88
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine?
The IUPAC name of 4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine (CID 126808096) is 4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine.
What is the SMILES notation for 4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine?
The canonical SMILES for 4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine is CCn1cc(CCN2CCN(c3nccc4sccc34)CC2)cn1.
What is the InChIKey of 4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine?
The InChIKey is FPLQVUQVLNSHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5S/c1-2-23-14-15(13-20-23)4-7-21-8-10-22(11-9-21)18-16-5-12-24-17(16)3-6-19-18/h3,5-6,12-14H,2,4,7-11H2,1H3.
What are the key properties of 4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine?
4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine has a molecular weight of 341.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1-ethylpyrazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-c]pyridine is sourced from PubChem (CID 126808096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).