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

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Launch Full Analysis

Related Compounds

2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid
CID 54739162
2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid
CID 54751422
6-(carboxymethylcarbamoyl)-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-3-carboxylic acid
CID 54741065
2-[(3-cyclohex-3-en-1-yl-5-hydroxy-8-methyl-7-oxopyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid
CID 66658622
2-[(5-hydroxy-8-methyl-7-oxo-2-phenylpyrido[2,3-d]pyrimidine-6-carbonyl)amino]acetic acid
CID 54741099
2-[(4-hydroxy-1-methyl-2-oxo-7-phenylquinoline-3-carbonyl)amino]acetic acid
CID 54681700
2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid
CID 59340126
5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide
CID 88564752
2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid
CID 54751416
2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid
CID 51053856
2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid
CID 54741193
2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 59340046

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).