3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C17H13FN4S — CID 58857752

IUPAC3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccc(-c2cnc3ccc(NCc4cccs4)nn23)cc1
InChIInChI=1S/C17H13FN4S/c18-13-5-3-12(4-6-13)15-11-20-17-8-7-16(21-22(15)17)19-10-14-2-1-9-23-14/h1-9,11H,10H2,(H,19,21)
InChIKeyLFMZXGPQHJVNGD-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.21
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857752) has the molecular formula C17H13FN4S and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857752
Molecular FormulaC17H13FN4S
Molecular Weight324.38 g/mol
Exact Mass324.08
IUPAC Name3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccc(-c2cnc3ccc(NCc4cccs4)nn23)cc1
InChIInChI=1S/C17H13FN4S/c18-13-5-3-12(4-6-13)15-11-20-17-8-7-16(21-22(15)17)19-10-14-2-1-9-23-14/h1-9,11H,10H2,(H,19,21)
InChIKeyLFMZXGPQHJVNGD-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-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 58857752) is 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is Fc1ccc(-c2cnc3ccc(NCc4cccs4)nn23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is LFMZXGPQHJVNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4S/c18-13-5-3-12(4-6-13)15-11-20-17-8-7-16(21-22(15)17)19-10-14-2-1-9-23-14/h1-9,11H,10H2,(H,19,21).
What are the key properties of 3-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(4-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-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).