3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C17H13FN4S — CID 126475827

IUPAC3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccccc1-c1cnc2ccc(NCc3cccs3)nn12
InChIInChI=1S/C17H13FN4S/c18-14-6-2-1-5-13(14)15-11-20-17-8-7-16(21-22(15)17)19-10-12-4-3-9-23-12/h1-9,11H,10H2,(H,19,21)
InChIKeyIBUCQYYJDQHPMU-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.21
Rot. Bonds4

About 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 126475827) has the molecular formula C17H13FN4S and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID126475827
Molecular FormulaC17H13FN4S
Molecular Weight324.38 g/mol
Exact Mass324.08
IUPAC Name3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccccc1-c1cnc2ccc(NCc3cccs3)nn12
InChIInChI=1S/C17H13FN4S/c18-14-6-2-1-5-13(14)15-11-20-17-8-7-16(21-22(15)17)19-10-12-4-3-9-23-12/h1-9,11H,10H2,(H,19,21)
InChIKeyIBUCQYYJDQHPMU-UHFFFAOYSA-N
XLogP4.21
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 126475827) is 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is Fc1ccccc1-c1cnc2ccc(NCc3cccs3)nn12.
What is the InChIKey of 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is IBUCQYYJDQHPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4S/c18-14-6-2-1-5-13(14)15-11-20-17-8-7-16(21-22(15)17)19-10-12-4-3-9-23-12/h1-9,11H,10H2,(H,19,21).
What are the key properties of 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 324.38 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126475827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).