6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

C23H22N6O2 — CID 71525617

IUPAC6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3ccc4c(c3)OCO4)nn3ccnc23)n1
InChIInChI=1S/C23H22N6O2/c1-15-4-3-10-28(15)22-6-2-5-21(26-22)25-18-13-17(27-29-11-9-24-23(18)29)16-7-8-19-20(12-16)31-14-30-19/h2,5-9,11-13,15H,3-4,10,14H2,1H3,(H,25,26)
InChIKeyCPXQURMEVHJHGO-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.25
Rot. Bonds4

About 6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine

6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (PubChem CID 71525617) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
PubChem CID71525617
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine
SMILESCC1CCCN1c1cccc(Nc2cc(-c3ccc4c(c3)OCO4)nn3ccnc23)n1
InChIInChI=1S/C23H22N6O2/c1-15-4-3-10-28(15)22-6-2-5-21(26-22)25-18-13-17(27-29-11-9-24-23(18)29)16-7-8-19-20(12-16)31-14-30-19/h2,5-9,11-13,15H,3-4,10,14H2,1H3,(H,25,26)
InChIKeyCPXQURMEVHJHGO-UHFFFAOYSA-N
XLogP4.25
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine (CID 71525617) is 6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is CC1CCCN1c1cccc(Nc2cc(-c3ccc4c(c3)OCO4)nn3ccnc23)n1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
The InChIKey is CPXQURMEVHJHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-15-4-3-10-28(15)22-6-2-5-21(26-22)25-18-13-17(27-29-11-9-24-23(18)29)16-7-8-19-20(12-16)31-14-30-19/h2,5-9,11-13,15H,3-4,10,14H2,1H3,(H,25,26).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine?
6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine has a molecular weight of 414.47 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-N-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]imidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 71525617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).