1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone

C15H15FN4OS — CID 86696331

IUPAC1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cnc3ccc(NCCCF)nn23)s1
InChIInChI=1S/C15H15FN4OS/c1-10(21)12-3-4-13(22-12)11-9-18-15-6-5-14(19-20(11)15)17-8-2-7-16/h3-6,9H,2,7-8H2,1H3,(H,17,19)
InChIKeyNFZWEHIQCAISLH-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.43
Rot. Bonds6

About 1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone

1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone (PubChem CID 86696331) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
PubChem CID86696331
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC Name1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cnc3ccc(NCCCF)nn23)s1
InChIInChI=1S/C15H15FN4OS/c1-10(21)12-3-4-13(22-12)11-9-18-15-6-5-14(19-20(11)15)17-8-2-7-16/h3-6,9H,2,7-8H2,1H3,(H,17,19)
InChIKeyNFZWEHIQCAISLH-UHFFFAOYSA-N
XLogP3.43
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone 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 1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone (CID 86696331) is 1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cnc3ccc(NCCCF)nn23)s1.
What is the InChIKey of 1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone?
The InChIKey is NFZWEHIQCAISLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c1-10(21)12-3-4-13(22-12)11-9-18-15-6-5-14(19-20(11)15)17-8-2-7-16/h3-6,9H,2,7-8H2,1H3,(H,17,19).
What are the key properties of 1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone?
1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone has a molecular weight of 318.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 86696331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).