4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid

C19H12N4O3S — CID 118492323

IUPAC4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(Sc3cccnc3)c2)c2ncccc2c1=O
InChIInChI=1S/C19H12N4O3S/c24-17-15-7-3-9-21-18(15)23(22-16(17)19(25)26)12-4-1-5-13(10-12)27-14-6-2-8-20-11-14/h1-11H,(H,25,26)
InChIKeyQIDOFYNNIRWKSG-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.03
Rot. Bonds4

About 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid

4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid (PubChem CID 118492323) has the molecular formula C19H12N4O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid
PubChem CID118492323
Molecular FormulaC19H12N4O3S
Molecular Weight376.40 g/mol
Exact Mass376.06
IUPAC Name4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2cccc(Sc3cccnc3)c2)c2ncccc2c1=O
InChIInChI=1S/C19H12N4O3S/c24-17-15-7-3-9-21-18(15)23(22-16(17)19(25)26)12-4-1-5-13(10-12)27-14-6-2-8-20-11-14/h1-11H,(H,25,26)
InChIKeyQIDOFYNNIRWKSG-UHFFFAOYSA-N
XLogP3.03
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid (CID 118492323) is 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid is O=C(O)c1nn(-c2cccc(Sc3cccnc3)c2)c2ncccc2c1=O.
What is the InChIKey of 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid?
The InChIKey is QIDOFYNNIRWKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O3S/c24-17-15-7-3-9-21-18(15)23(22-16(17)19(25)26)12-4-1-5-13(10-12)27-14-6-2-8-20-11-14/h1-11H,(H,25,26).
What are the key properties of 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid?
4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid has a molecular weight of 376.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-(3-pyridin-3-ylsulfanylphenyl)pyrido[2,3-c]pyridazine-3-carboxylic acid is sourced from PubChem (CID 118492323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).