3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine

C19H18N4OS — CID 58857705

IUPAC3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc2sc(-c3cnc4ccc(NC5CCOCC5)nn34)cc2c1
InChIInChI=1S/C19H18N4OS/c1-2-4-16-13(3-1)11-17(25-16)15-12-20-19-6-5-18(22-23(15)19)21-14-7-9-24-10-8-14/h1-6,11-12,14H,7-10H2,(H,21,22)
InChIKeyVQEGAEFFCWDYOW-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.20
Rot. Bonds3

About 3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine

3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857705) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857705
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc2sc(-c3cnc4ccc(NC5CCOCC5)nn34)cc2c1
InChIInChI=1S/C19H18N4OS/c1-2-4-16-13(3-1)11-17(25-16)15-12-20-19-6-5-18(22-23(15)19)21-14-7-9-24-10-8-14/h1-6,11-12,14H,7-10H2,(H,21,22)
InChIKeyVQEGAEFFCWDYOW-UHFFFAOYSA-N
XLogP4.20
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 58857705) is 3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is c1ccc2sc(-c3cnc4ccc(NC5CCOCC5)nn34)cc2c1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VQEGAEFFCWDYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-2-4-16-13(3-1)11-17(25-16)15-12-20-19-6-5-18(22-23(15)19)21-14-7-9-24-10-8-14/h1-6,11-12,14H,7-10H2,(H,21,22).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 350.45 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).