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

C21H16N4OS — CID 78426264

IUPAC3-(1-benzothiophen-2-yl)-N-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccccc1Nc1ccc2ncc(-c3cc4ccccc4s3)n2n1
InChIInChI=1S/C21H16N4OS/c1-26-17-8-4-3-7-15(17)23-20-10-11-21-22-13-16(25(21)24-20)19-12-14-6-2-5-9-18(14)27-19/h2-13H,1H3,(H,23,24)
InChIKeyGILUURFZOKKGRO-UHFFFAOYSA-N
MW372.45 g/mol
LogP5.36
Rot. Bonds4

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

3-(1-benzothiophen-2-yl)-N-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 78426264) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID78426264
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC Name3-(1-benzothiophen-2-yl)-N-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccccc1Nc1ccc2ncc(-c3cc4ccccc4s3)n2n1
InChIInChI=1S/C21H16N4OS/c1-26-17-8-4-3-7-15(17)23-20-10-11-21-22-13-16(25(21)24-20)19-12-14-6-2-5-9-18(14)27-19/h2-13H,1H3,(H,23,24)
InChIKeyGILUURFZOKKGRO-UHFFFAOYSA-N
XLogP5.36
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 55.36
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-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine (CID 78426264) is 3-(1-benzothiophen-2-yl)-N-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine is COc1ccccc1Nc1ccc2ncc(-c3cc4ccccc4s3)n2n1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is GILUURFZOKKGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c1-26-17-8-4-3-7-15(17)23-20-10-11-21-22-13-16(25(21)24-20)19-12-14-6-2-5-9-18(14)27-19/h2-13H,1H3,(H,23,24).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
3-(1-benzothiophen-2-yl)-N-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 372.45 g/mol, XLogP of 5.36, 4 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-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 78426264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).