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

C19H22N4O3 — CID 45489167

IUPAC3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1OC
InChIInChI=1S/C19H22N4O3/c1-24-16-4-3-13(11-17(16)25-2)15-12-20-19-6-5-18(22-23(15)19)21-14-7-9-26-10-8-14/h3-6,11-12,14H,7-10H2,1-2H3,(H,21,22)
InChIKeyQPAUPGQSDSAKRY-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.00
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 45489167) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID45489167
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1OC
InChIInChI=1S/C19H22N4O3/c1-24-16-4-3-13(11-17(16)25-2)15-12-20-19-6-5-18(22-23(15)19)21-14-7-9-26-10-8-14/h3-6,11-12,14H,7-10H2,1-2H3,(H,21,22)
InChIKeyQPAUPGQSDSAKRY-UHFFFAOYSA-N
XLogP3.00
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 45489167) is 3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is COc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is QPAUPGQSDSAKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-24-16-4-3-13(11-17(16)25-2)15-12-20-19-6-5-18(22-23(15)19)21-14-7-9-26-10-8-14/h3-6,11-12,14H,7-10H2,1-2H3,(H,21,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 354.41 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 45489167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).