6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine

C21H17N3S — CID 145057345

IUPAC6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine
SMILESCCc1cc2scc(C#Cc3cnn(C)c3)c2nc1-c1ccccc1
InChIInChI=1S/C21H17N3S/c1-3-16-11-19-21(23-20(16)17-7-5-4-6-8-17)18(14-25-19)10-9-15-12-22-24(2)13-15/h4-8,11-14H,3H2,1-2H3
InChIKeyBWODFPULKYWPLE-UHFFFAOYSA-N
MW343.46 g/mol
LogP4.66
Rot. Bonds2

About 6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine

6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine (PubChem CID 145057345) has the molecular formula C21H17N3S and a molecular weight of 343.46 g/mol. Its IUPAC name is 6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine
PubChem CID145057345
Molecular FormulaC21H17N3S
Molecular Weight343.46 g/mol
Exact Mass343.11
IUPAC Name6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine
SMILESCCc1cc2scc(C#Cc3cnn(C)c3)c2nc1-c1ccccc1
InChIInChI=1S/C21H17N3S/c1-3-16-11-19-21(23-20(16)17-7-5-4-6-8-17)18(14-25-19)10-9-15-12-22-24(2)13-15/h4-8,11-14H,3H2,1-2H3
InChIKeyBWODFPULKYWPLE-UHFFFAOYSA-N
XLogP4.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine?
The IUPAC name of 6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine (CID 145057345) is 6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine.
What is the SMILES notation for 6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine?
The canonical SMILES for 6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine is CCc1cc2scc(C#Cc3cnn(C)c3)c2nc1-c1ccccc1.
What is the InChIKey of 6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine?
The InChIKey is BWODFPULKYWPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3S/c1-3-16-11-19-21(23-20(16)17-7-5-4-6-8-17)18(14-25-19)10-9-15-12-22-24(2)13-15/h4-8,11-14H,3H2,1-2H3.
What are the key properties of 6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine?
6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine has a molecular weight of 343.46 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[2-(1-methylpyrazol-4-yl)ethynyl]-5-phenylthieno[3,2-b]pyridine is sourced from PubChem (CID 145057345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).