3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine

C17H16ClFN4O — CID 25104177

IUPAC3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1Cl
InChIInChI=1S/C17H16ClFN4O/c18-13-9-11(1-2-14(13)19)15-10-20-17-4-3-16(22-23(15)17)21-12-5-7-24-8-6-12/h1-4,9-10,12H,5-8H2,(H,21,22)
InChIKeyKDKPZLXEJWBWSB-UHFFFAOYSA-N
MW346.79 g/mol
LogP3.78
Rot. Bonds3

About 3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine

3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 25104177) has the molecular formula C17H16ClFN4O and a molecular weight of 346.79 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID25104177
Molecular FormulaC17H16ClFN4O
Molecular Weight346.79 g/mol
Exact Mass346.10
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1Cl
InChIInChI=1S/C17H16ClFN4O/c18-13-9-11(1-2-14(13)19)15-10-20-17-4-3-16(22-23(15)17)21-12-5-7-24-8-6-12/h1-4,9-10,12H,5-8H2,(H,21,22)
InChIKeyKDKPZLXEJWBWSB-UHFFFAOYSA-N
XLogP3.78
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 25104177) is 3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is Fc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is KDKPZLXEJWBWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4O/c18-13-9-11(1-2-14(13)19)15-10-20-17-4-3-16(22-23(15)17)21-12-5-7-24-8-6-12/h1-4,9-10,12H,5-8H2,(H,21,22).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 346.79 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 25104177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).