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

C21H17N5S — CID 58857849

IUPAC3-(1-benzothiophen-2-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc(CCNc2ccc3ncc(-c4cc5ccccc5s4)n3n2)nc1
InChIInChI=1S/C21H17N5S/c1-2-7-18-15(5-1)13-19(27-18)17-14-24-21-9-8-20(25-26(17)21)23-12-10-16-6-3-4-11-22-16/h1-9,11,13-14H,10,12H2,(H,23,25)
InChIKeyPEDRWBHQXJIROG-UHFFFAOYSA-N
MW371.47 g/mol
LogP4.66
Rot. Bonds5

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

3-(1-benzothiophen-2-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857849) has the molecular formula C21H17N5S and a molecular weight of 371.47 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857849
Molecular FormulaC21H17N5S
Molecular Weight371.47 g/mol
Exact Mass371.12
IUPAC Name3-(1-benzothiophen-2-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc(CCNc2ccc3ncc(-c4cc5ccccc5s4)n3n2)nc1
InChIInChI=1S/C21H17N5S/c1-2-7-18-15(5-1)13-19(27-18)17-14-24-21-9-8-20(25-26(17)21)23-12-10-16-6-3-4-11-22-16/h1-9,11,13-14H,10,12H2,(H,23,25)
InChIKeyPEDRWBHQXJIROG-UHFFFAOYSA-N
XLogP4.66
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.66
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-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine (CID 58857849) is 3-(1-benzothiophen-2-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine is c1ccc(CCNc2ccc3ncc(-c4cc5ccccc5s4)n3n2)nc1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is PEDRWBHQXJIROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5S/c1-2-7-18-15(5-1)13-19(27-18)17-14-24-21-9-8-20(25-26(17)21)23-12-10-16-6-3-4-11-22-16/h1-9,11,13-14H,10,12H2,(H,23,25).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(1-benzothiophen-2-yl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 371.47 g/mol, XLogP of 4.66, 5 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-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).