N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine

C20H16N4O3 — CID 134809356

IUPACN-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine
SMILESCOc1ccccc1-c1ccc2ncc(Nc3ccc4c(c3)OCO4)n2n1
InChIInChI=1S/C20H16N4O3/c1-25-16-5-3-2-4-14(16)15-7-9-19-21-11-20(24(19)23-15)22-13-6-8-17-18(10-13)27-12-26-17/h2-11,22H,12H2,1H3
InChIKeyYDIVJZYLXNYUFY-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.88
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine

N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine (PubChem CID 134809356) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine
PubChem CID134809356
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine
SMILESCOc1ccccc1-c1ccc2ncc(Nc3ccc4c(c3)OCO4)n2n1
InChIInChI=1S/C20H16N4O3/c1-25-16-5-3-2-4-14(16)15-7-9-19-21-11-20(24(19)23-15)22-13-6-8-17-18(10-13)27-12-26-17/h2-11,22H,12H2,1H3
InChIKeyYDIVJZYLXNYUFY-UHFFFAOYSA-N
XLogP3.88
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine (CID 134809356) is N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine is COc1ccccc1-c1ccc2ncc(Nc3ccc4c(c3)OCO4)n2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine?
The InChIKey is YDIVJZYLXNYUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-25-16-5-3-2-4-14(16)15-7-9-19-21-11-20(24(19)23-15)22-13-6-8-17-18(10-13)27-12-26-17/h2-11,22H,12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine?
N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine has a molecular weight of 360.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 134809356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).