3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one

C18H14N4OS — CID 71557601

IUPAC3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one
SMILESO=c1c2c(-c3ccncc3)csc2cnn1CCc1ccccn1
InChIInChI=1S/C18H14N4OS/c23-18-17-15(13-4-8-19-9-5-13)12-24-16(17)11-21-22(18)10-6-14-3-1-2-7-20-14/h1-5,7-9,11-12H,6,10H2
InChIKeySKSQYABGUVJJEB-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.16
Rot. Bonds4

About 3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one

3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one (PubChem CID 71557601) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one
PubChem CID71557601
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one
SMILESO=c1c2c(-c3ccncc3)csc2cnn1CCc1ccccn1
InChIInChI=1S/C18H14N4OS/c23-18-17-15(13-4-8-19-9-5-13)12-24-16(17)11-21-22(18)10-6-14-3-1-2-7-20-14/h1-5,7-9,11-12H,6,10H2
InChIKeySKSQYABGUVJJEB-UHFFFAOYSA-N
XLogP3.16
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one
CID 90415790
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
5-phenyl-3-prop-2-enyl-2-(pyridin-2-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one
CID 41479953
1-(2-phenoxyethyl)-5-(2-pyridin-2-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 126789645
2-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-dione
CID 71390982
5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 80501795
3-(2-methylpyrimidin-5-yl)-7-pyridin-4-yl-5-(2,2,2-trifluoroethyl)thieno[2,3-d]pyridazin-4-one
CID 90416502
5-methyl-7-(4-methylphenyl)-3-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
CID 90415937
1-cyclobutyl-4-(2-pyridin-2-ylethyl)tetrazol-5-one
CID 166283609
2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine
CID 60893202

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one?
The IUPAC name of 3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one (CID 71557601) is 3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one is O=c1c2c(-c3ccncc3)csc2cnn1CCc1ccccn1.
What is the InChIKey of 3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one?
The InChIKey is SKSQYABGUVJJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c23-18-17-15(13-4-8-19-9-5-13)12-24-16(17)11-21-22(18)10-6-14-3-1-2-7-20-14/h1-5,7-9,11-12H,6,10H2.
What are the key properties of 3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one?
3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one has a molecular weight of 334.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-5-(2-pyridin-2-ylethyl)thieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 71557601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).