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

C21H20N4O2 — CID 126471579

IUPAC3-[[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
SMILESOCCCNc1ccc2ncc(-c3ccc(Oc4ccccc4)cc3)n2n1
InChIInChI=1S/C21H20N4O2/c26-14-4-13-22-20-11-12-21-23-15-19(25(21)24-20)16-7-9-18(10-8-16)27-17-5-2-1-3-6-17/h1-3,5-12,15,26H,4,13-14H2,(H,22,24)
InChIKeyJANOVXZNZJUBJP-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.98
Rot. Bonds7

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

3-[[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol (PubChem CID 126471579) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
PubChem CID126471579
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-[[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
SMILESOCCCNc1ccc2ncc(-c3ccc(Oc4ccccc4)cc3)n2n1
InChIInChI=1S/C21H20N4O2/c26-14-4-13-22-20-11-12-21-23-15-19(25(21)24-20)16-7-9-18(10-8-16)27-17-5-2-1-3-6-17/h1-3,5-12,15,26H,4,13-14H2,(H,22,24)
InChIKeyJANOVXZNZJUBJP-UHFFFAOYSA-N
XLogP3.98
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The IUPAC name of 3-[[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol (CID 126471579) is 3-[[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol is OCCCNc1ccc2ncc(-c3ccc(Oc4ccccc4)cc3)n2n1.
What is the InChIKey of 3-[[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The InChIKey is JANOVXZNZJUBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-14-4-13-22-20-11-12-21-23-15-19(25(21)24-20)16-7-9-18(10-8-16)27-17-5-2-1-3-6-17/h1-3,5-12,15,26H,4,13-14H2,(H,22,24).
What are the key properties of 3-[[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
3-[[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol has a molecular weight of 360.42 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol is sourced from PubChem (CID 126471579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).