5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid

C18H19N5O3S — CID 86696364

IUPAC5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc3ccc(NCCCN4CCCC4=O)nn23)s1
InChIInChI=1S/C18H19N5O3S/c24-17-3-1-9-22(17)10-2-8-19-15-6-7-16-20-11-12(23(16)21-15)13-4-5-14(27-13)18(25)26/h4-7,11H,1-3,8-10H2,(H,19,21)(H,25,26)
InChIKeyWTPVWWWBJNWSML-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.58
Rot. Bonds7

About 5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid

5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid (PubChem CID 86696364) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid
PubChem CID86696364
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cnc3ccc(NCCCN4CCCC4=O)nn23)s1
InChIInChI=1S/C18H19N5O3S/c24-17-3-1-9-22(17)10-2-8-19-15-6-7-16-20-11-12(23(16)21-15)13-4-5-14(27-13)18(25)26/h4-7,11H,1-3,8-10H2,(H,19,21)(H,25,26)
InChIKeyWTPVWWWBJNWSML-UHFFFAOYSA-N
XLogP2.58
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

acetic acid;1-[5-[6-[3-(methylamino)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
CID 86696328
1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
CID 86696331
1-[3-[[3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propyl]pyrrolidin-2-one
CID 20957487
1-[5-[6-(pyridin-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
CID 126471477
6-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90094755
2-fluoro-N-[2-[6-[3-(2-oxopiperidin-1-yl)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 43957575
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
CID 67987669
ethyl 2-[3-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoylamino]propanoate
CID 20957506
N-(3,5-dimethoxyphenyl)-3-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanamide
CID 20957483
1-[3-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117083786
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373
methyl 3-methyl-2-[3-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]propanoylamino]butanoate
CID 20957511

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid (CID 86696364) is 5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2cnc3ccc(NCCCN4CCCC4=O)nn23)s1.
What is the InChIKey of 5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid?
The InChIKey is WTPVWWWBJNWSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c24-17-3-1-9-22(17)10-2-8-19-15-6-7-16-20-11-12(23(16)21-15)13-4-5-14(27-13)18(25)26/h4-7,11H,1-3,8-10H2,(H,19,21)(H,25,26).
What are the key properties of 5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid?
5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid has a molecular weight of 385.45 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 86696364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).