N-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine

C20H19FN4S — CID 144699009

IUPACN-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccc2sc(-c3cnc4ccc(NC5CCCCC5)nn34)cc2c1
InChIInChI=1S/C20H19FN4S/c21-14-6-7-17-13(10-14)11-18(26-17)16-12-22-20-9-8-19(24-25(16)20)23-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,23,24)
InChIKeyYAKKXQHWBFVBSA-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.49
Rot. Bonds3

About N-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine

N-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 144699009) has the molecular formula C20H19FN4S and a molecular weight of 366.47 g/mol. Its IUPAC name is N-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID144699009
Molecular FormulaC20H19FN4S
Molecular Weight366.47 g/mol
Exact Mass366.13
IUPAC NameN-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccc2sc(-c3cnc4ccc(NC5CCCCC5)nn34)cc2c1
InChIInChI=1S/C20H19FN4S/c21-14-6-7-17-13(10-14)11-18(26-17)16-12-22-20-9-8-19(24-25(16)20)23-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,23,24)
InChIKeyYAKKXQHWBFVBSA-UHFFFAOYSA-N
XLogP5.49
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (CID 144699009) is N-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is Fc1ccc2sc(-c3cnc4ccc(NC5CCCCC5)nn34)cc2c1.
What is the InChIKey of N-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is YAKKXQHWBFVBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4S/c21-14-6-7-17-13(10-14)11-18(26-17)16-12-22-20-9-8-19(24-25(16)20)23-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,23,24).
What are the key properties of N-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
N-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 366.47 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(5-fluoro-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 144699009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).