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

C20H20N4S — CID 144699049

IUPAC3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc2sc(-c3cnc4ccc(NC5CCCCC5)nn34)cc2c1
InChIInChI=1S/C20H20N4S/c1-2-7-15(8-3-1)22-19-10-11-20-21-13-16(24(20)23-19)18-12-14-6-4-5-9-17(14)25-18/h4-6,9-13,15H,1-3,7-8H2,(H,22,23)
InChIKeyHQBPVPYPNQKJMR-UHFFFAOYSA-N
MW348.48 g/mol
LogP5.36
Rot. Bonds3

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

3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 144699049) has the molecular formula C20H20N4S and a molecular weight of 348.48 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine
PubChem CID144699049
Molecular FormulaC20H20N4S
Molecular Weight348.48 g/mol
Exact Mass348.14
IUPAC Name3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc2sc(-c3cnc4ccc(NC5CCCCC5)nn34)cc2c1
InChIInChI=1S/C20H20N4S/c1-2-7-15(8-3-1)22-19-10-11-20-21-13-16(24(20)23-19)18-12-14-6-4-5-9-17(14)25-18/h4-6,9-13,15H,1-3,7-8H2,(H,22,23)
InChIKeyHQBPVPYPNQKJMR-UHFFFAOYSA-N
XLogP5.36
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.48
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine (CID 144699049) is 3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine is c1ccc2sc(-c3cnc4ccc(NC5CCCCC5)nn34)cc2c1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is HQBPVPYPNQKJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S/c1-2-7-15(8-3-1)22-19-10-11-20-21-13-16(24(20)23-19)18-12-14-6-4-5-9-17(14)25-18/h4-6,9-13,15H,1-3,7-8H2,(H,22,23).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine?
3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 348.48 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-cyclohexylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 144699049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).