3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol

C17H16N4OS — CID 58857841

IUPAC3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
SMILESOCCCNc1ccc2ncc(-c3cc4ccccc4s3)n2n1
InChIInChI=1S/C17H16N4OS/c22-9-3-8-18-16-6-7-17-19-11-13(21(17)20-16)15-10-12-4-1-2-5-14(12)23-15/h1-2,4-7,10-11,22H,3,8-9H2,(H,18,20)
InChIKeyZWIXNQYIROSKBL-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.41
Rot. Bonds5

About 3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol

3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol (PubChem CID 58857841) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
PubChem CID58857841
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
SMILESOCCCNc1ccc2ncc(-c3cc4ccccc4s3)n2n1
InChIInChI=1S/C17H16N4OS/c22-9-3-8-18-16-6-7-17-19-11-13(21(17)20-16)15-10-12-4-1-2-5-14(12)23-15/h1-2,4-7,10-11,22H,3,8-9H2,(H,18,20)
InChIKeyZWIXNQYIROSKBL-UHFFFAOYSA-N
XLogP3.41
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The IUPAC name of 3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol (CID 58857841) is 3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol is OCCCNc1ccc2ncc(-c3cc4ccccc4s3)n2n1.
What is the InChIKey of 3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The InChIKey is ZWIXNQYIROSKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-9-3-8-18-16-6-7-17-19-11-13(21(17)20-16)15-10-12-4-1-2-5-14(12)23-15/h1-2,4-7,10-11,22H,3,8-9H2,(H,18,20).
What are the key properties of 3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol has a molecular weight of 324.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol is sourced from PubChem (CID 58857841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).