2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

C17H20N4O2 — CID 58857597

IUPAC2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(-c3ccc(OC)cc3)n2n1
InChIInChI=1S/C17H20N4O2/c1-3-13(11-22)19-16-8-9-17-18-10-15(21(17)20-16)12-4-6-14(23-2)7-5-12/h4-10,13,22H,3,11H2,1-2H3,(H,19,20)
InChIKeyPGLDXRCJCBZYCW-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.59
Rot. Bonds6

About 2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (PubChem CID 58857597) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
PubChem CID58857597
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1ccc2ncc(-c3ccc(OC)cc3)n2n1
InChIInChI=1S/C17H20N4O2/c1-3-13(11-22)19-16-8-9-17-18-10-15(21(17)20-16)12-4-6-14(23-2)7-5-12/h4-10,13,22H,3,11H2,1-2H3,(H,19,20)
InChIKeyPGLDXRCJCBZYCW-UHFFFAOYSA-N
XLogP2.59
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol 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 2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The IUPAC name of 2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (CID 58857597) is 2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is CCC(CO)Nc1ccc2ncc(-c3ccc(OC)cc3)n2n1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The InChIKey is PGLDXRCJCBZYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-13(11-22)19-16-8-9-17-18-10-15(21(17)20-16)12-4-6-14(23-2)7-5-12/h4-10,13,22H,3,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol has a molecular weight of 312.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is sourced from PubChem (CID 58857597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).