5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one

C20H15N3OS — CID 78426141

IUPAC5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCn1nc(-c2ccncc2)c2scc(/C=C/c3ccccc3)c2c1=O
InChIInChI=1S/C20H15N3OS/c1-23-20(24)17-16(8-7-14-5-3-2-4-6-14)13-25-19(17)18(22-23)15-9-11-21-12-10-15/h2-13H,1H3/b8-7+
InChIKeyFQDFXSGEUKCSLU-BQYQJAHWSA-N
MW345.43 g/mol
LogP4.23
Rot. Bonds3

About 5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one

5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one (PubChem CID 78426141) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
PubChem CID78426141
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCn1nc(-c2ccncc2)c2scc(/C=C/c3ccccc3)c2c1=O
InChIInChI=1S/C20H15N3OS/c1-23-20(24)17-16(8-7-14-5-3-2-4-6-14)13-25-19(17)18(22-23)15-9-11-21-12-10-15/h2-13H,1H3/b8-7+
InChIKeyFQDFXSGEUKCSLU-BQYQJAHWSA-N
XLogP4.23
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one (CID 78426141) is 5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one is Cn1nc(-c2ccncc2)c2scc(/C=C/c3ccccc3)c2c1=O.
What is the InChIKey of 5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The InChIKey is FQDFXSGEUKCSLU-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-23-20(24)17-16(8-7-14-5-3-2-4-6-14)13-25-19(17)18(22-23)15-9-11-21-12-10-15/h2-13H,1H3/b8-7+.
What are the key properties of 5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one has a molecular weight of 345.43 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(E)-2-phenylethenyl]-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 78426141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).