methyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate

C18H15N3O4S — CID 3775204

IUPACmethyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1Sc1ccccn1
InChIInChI=1S/C18H15N3O4S/c1-24-13-8-6-12(7-9-13)21-16(22)11-14(17(20-21)18(23)25-2)26-15-5-3-4-10-19-15/h3-11H,1-2H3
InChIKeyZPQFXYAVLROXSL-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.57
Rot. Bonds5

About methyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate

methyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate (PubChem CID 3775204) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is methyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate
PubChem CID3775204
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Namemethyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1Sc1ccccn1
InChIInChI=1S/C18H15N3O4S/c1-24-13-8-6-12(7-9-13)21-16(22)11-14(17(20-21)18(23)25-2)26-15-5-3-4-10-19-15/h3-11H,1-2H3
InChIKeyZPQFXYAVLROXSL-UHFFFAOYSA-N
XLogP2.57
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-hydroxy-1-(4-methoxyphenyl)-6-oxopyridazine-3-carbohydrazide
CID 82421317
N-(3,5-dichlorophenyl)-2-(4-methoxyphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 123457493
methyl 1-(4-methoxyphenyl)-3-methylsulfanylpyrazole-5-carboxylate
CID 18177273
S-pyridin-2-yl 4-methoxybenzenecarbothioate
CID 5097621
6-chloro-2-(4-methoxyphenyl)pyridazin-3-one
CID 824695
methyl 2-amino-3-pyridin-2-ylsulfanylbenzoate
CID 113333406
tert-butyl 3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carboxylate;3-(4-methoxyphenyl)sulfanyl-6-pyridin-2-ylsulfanylpyridine-2-carboxylic acid
CID 161362662
1-(4-methoxyphenyl)-3-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42754625
N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide
CID 51234182
methyl 4-chloro-2-pyridin-2-ylsulfanyl-1,3-thiazole-5-carboxylate
CID 60844575
2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 46383851
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383879

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate?
The IUPAC name of methyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate (CID 3775204) is methyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate?
The canonical SMILES for methyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate is COC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1Sc1ccccn1.
What is the InChIKey of methyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate?
The InChIKey is ZPQFXYAVLROXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-24-13-8-6-12(7-9-13)21-16(22)11-14(17(20-21)18(23)25-2)26-15-5-3-4-10-19-15/h3-11H,1-2H3.
What are the key properties of methyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate?
methyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate has a molecular weight of 369.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methoxyphenyl)-6-oxo-4-pyridin-2-ylsulfanylpyridazine-3-carboxylate is sourced from PubChem (CID 3775204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).