N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine

C18H19N5O — CID 58857589

IUPACN-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C18H19N5O/c1-22(2)10-9-19-17-7-8-18-20-12-14(23(18)21-17)16-11-13-5-3-4-6-15(13)24-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)
InChIKeyAKBJFLSQJRFVJG-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.12
Rot. Bonds5

About N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine

N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 58857589) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID58857589
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C18H19N5O/c1-22(2)10-9-19-17-7-8-18-20-12-14(23(18)21-17)16-11-13-5-3-4-6-15(13)24-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)
InChIKeyAKBJFLSQJRFVJG-UHFFFAOYSA-N
XLogP3.12
TPSA58.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine 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-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine (CID 58857589) is N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccc2ncc(-c3cc4ccccc4o3)n2n1.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is AKBJFLSQJRFVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-22(2)10-9-19-17-7-8-18-20-12-14(23(18)21-17)16-11-13-5-3-4-6-15(13)24-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine?
N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 321.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 58857589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).