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

C19H15N5O3 — CID 134807497

IUPACN-(1,3-benzodioxol-5-yl)-6-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine
SMILESCOc1ccc(-c2ccc3ncc(Nc4ccc5c(c4)OCO5)n3n2)cn1
InChIInChI=1S/C19H15N5O3/c1-25-19-7-2-12(9-21-19)14-4-6-17-20-10-18(24(17)23-14)22-13-3-5-15-16(8-13)27-11-26-15/h2-10,22H,11H2,1H3
InChIKeyBVTWQVXVZMBJAB-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.27
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-6-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine (PubChem CID 134807497) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine
PubChem CID134807497
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine
SMILESCOc1ccc(-c2ccc3ncc(Nc4ccc5c(c4)OCO5)n3n2)cn1
InChIInChI=1S/C19H15N5O3/c1-25-19-7-2-12(9-21-19)14-4-6-17-20-10-18(24(17)23-14)22-13-3-5-15-16(8-13)27-11-26-15/h2-10,22H,11H2,1H3
InChIKeyBVTWQVXVZMBJAB-UHFFFAOYSA-N
XLogP3.27
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,3-benzodioxol-5-yl)-6-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-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 N-(1,3-benzodioxol-5-yl)-6-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine (CID 134807497) is N-(1,3-benzodioxol-5-yl)-6-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine is COc1ccc(-c2ccc3ncc(Nc4ccc5c(c4)OCO5)n3n2)cn1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine?
The InChIKey is BVTWQVXVZMBJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-25-19-7-2-12(9-21-19)14-4-6-17-20-10-18(24(17)23-14)22-13-3-5-15-16(8-13)27-11-26-15/h2-10,22H,11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine?
N-(1,3-benzodioxol-5-yl)-6-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine has a molecular weight of 361.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 134807497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).