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

C23H22N4O2 — CID 25104047

IUPACN-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc(Oc2ccccc2-c2cnc3ccc(NC4CCOCC4)nn23)cc1
InChIInChI=1S/C23H22N4O2/c1-2-6-18(7-3-1)29-21-9-5-4-8-19(21)20-16-24-23-11-10-22(26-27(20)23)25-17-12-14-28-15-13-17/h1-11,16-17H,12-15H2,(H,25,26)
InChIKeyRZNLIJIWSORCTH-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.78
Rot. Bonds5

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

N-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 25104047) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID25104047
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc(Oc2ccccc2-c2cnc3ccc(NC4CCOCC4)nn23)cc1
InChIInChI=1S/C23H22N4O2/c1-2-6-18(7-3-1)29-21-9-5-4-8-19(21)20-16-24-23-11-10-22(26-27(20)23)25-17-12-14-28-15-13-17/h1-11,16-17H,12-15H2,(H,25,26)
InChIKeyRZNLIJIWSORCTH-UHFFFAOYSA-N
XLogP4.78
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine (CID 25104047) is N-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine is c1ccc(Oc2ccccc2-c2cnc3ccc(NC4CCOCC4)nn23)cc1.
What is the InChIKey of N-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is RZNLIJIWSORCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-2-6-18(7-3-1)29-21-9-5-4-8-19(21)20-16-24-23-11-10-22(26-27(20)23)25-17-12-14-28-15-13-17/h1-11,16-17H,12-15H2,(H,25,26).
What are the key properties of N-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
N-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 386.46 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 25104047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).