2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid

C15H12N4O5S — CID 54741076

IUPAC2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(-c3cccs3)nnc21
InChIInChI=1S/C15H12N4O5S/c1-19-13-7(5-8(17-18-13)9-3-2-4-25-9)12(22)11(15(19)24)14(23)16-6-10(20)21/h2-5,22H,6H2,1H3,(H,16,23)(H,20,21)
InChIKeyFCFMAGSIPROWLU-UHFFFAOYSA-N
MW360.35 g/mol
LogP0.58
Rot. Bonds4

About 2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid

2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid (PubChem CID 54741076) has the molecular formula C15H12N4O5S and a molecular weight of 360.35 g/mol. Its IUPAC name is 2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid
PubChem CID54741076
Molecular FormulaC15H12N4O5S
Molecular Weight360.35 g/mol
Exact Mass360.05
IUPAC Name2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(-c3cccs3)nnc21
InChIInChI=1S/C15H12N4O5S/c1-19-13-7(5-8(17-18-13)9-3-2-4-25-9)12(22)11(15(19)24)14(23)16-6-10(20)21/h2-5,22H,6H2,1H3,(H,16,23)(H,20,21)
InChIKeyFCFMAGSIPROWLU-UHFFFAOYSA-N
XLogP0.58
TPSA134.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid (CID 54741076) is 2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cc(-c3cccs3)nnc21.
What is the InChIKey of 2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid?
The InChIKey is FCFMAGSIPROWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O5S/c1-19-13-7(5-8(17-18-13)9-3-2-4-25-9)12(22)11(15(19)24)14(23)16-6-10(20)21/h2-5,22H,6H2,1H3,(H,16,23)(H,20,21).
What are the key properties of 2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid?
2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid has a molecular weight of 360.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 54741076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).