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

C18H13N3O2S — CID 90415944

IUPAC7-(3-hydroxyphenyl)-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCn1nc(-c2cccc(O)c2)c2scc(-c3ccncc3)c2c1=O
InChIInChI=1S/C18H13N3O2S/c1-21-18(23)15-14(11-5-7-19-8-6-11)10-24-17(15)16(20-21)12-3-2-4-13(22)9-12/h2-10,22H,1H3
InChIKeyGTXFPNOOSIXCAJ-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.43
Rot. Bonds2

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

7-(3-hydroxyphenyl)-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one (PubChem CID 90415944) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 7-(3-hydroxyphenyl)-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name7-(3-hydroxyphenyl)-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
PubChem CID90415944
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name7-(3-hydroxyphenyl)-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCn1nc(-c2cccc(O)c2)c2scc(-c3ccncc3)c2c1=O
InChIInChI=1S/C18H13N3O2S/c1-21-18(23)15-14(11-5-7-19-8-6-11)10-24-17(15)16(20-21)12-3-2-4-13(22)9-12/h2-10,22H,1H3
InChIKeyGTXFPNOOSIXCAJ-UHFFFAOYSA-N
XLogP3.43
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxyphenyl)-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 7-(3-hydroxyphenyl)-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one (CID 90415944) is 7-(3-hydroxyphenyl)-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 7-(3-hydroxyphenyl)-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 7-(3-hydroxyphenyl)-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one is Cn1nc(-c2cccc(O)c2)c2scc(-c3ccncc3)c2c1=O.
What is the InChIKey of 7-(3-hydroxyphenyl)-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The InChIKey is GTXFPNOOSIXCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-21-18(23)15-14(11-5-7-19-8-6-11)10-24-17(15)16(20-21)12-3-2-4-13(22)9-12/h2-10,22H,1H3.
What are the key properties of 7-(3-hydroxyphenyl)-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
7-(3-hydroxyphenyl)-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one has a molecular weight of 335.39 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxyphenyl)-5-methyl-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 90415944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).