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

C18H14FN5 — CID 58857801

IUPAC3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccc(-c2cnc3ccc(NCc4ccccn4)nn23)cc1
InChIInChI=1S/C18H14FN5/c19-14-6-4-13(5-7-14)16-12-22-18-9-8-17(23-24(16)18)21-11-15-3-1-2-10-20-15/h1-10,12H,11H2,(H,21,23)
InChIKeyRTWHAACTLSAUCX-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.54
Rot. Bonds4

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

3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857801) has the molecular formula C18H14FN5 and a molecular weight of 319.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857801
Molecular FormulaC18H14FN5
Molecular Weight319.34 g/mol
Exact Mass319.12
IUPAC Name3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccc(-c2cnc3ccc(NCc4ccccn4)nn23)cc1
InChIInChI=1S/C18H14FN5/c19-14-6-4-13(5-7-14)16-12-22-18-9-8-17(23-24(16)18)21-11-15-3-1-2-10-20-15/h1-10,12H,11H2,(H,21,23)
InChIKeyRTWHAACTLSAUCX-UHFFFAOYSA-N
XLogP3.54
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.54
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-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 58857801) is 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is Fc1ccc(-c2cnc3ccc(NCc4ccccn4)nn23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is RTWHAACTLSAUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5/c19-14-6-4-13(5-7-14)16-12-22-18-9-8-17(23-24(16)18)21-11-15-3-1-2-10-20-15/h1-10,12H,11H2,(H,21,23).
What are the key properties of 3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 319.34 g/mol, XLogP of 3.54, 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-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).