2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol

C21H20FN5O2 — CID 50991631

IUPAC2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
SMILESC/C(=N\OCCO)c1ccc2ncc([C@H](C)c3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C21H20FN5O2/c1-13(16-10-15-4-3-7-23-19(15)11-17(16)22)20-12-24-21-6-5-18(25-27(20)21)14(2)26-29-9-8-28/h3-7,10-13,28H,8-9H2,1-2H3/b26-14+/t13-/m1/s1
InChIKeyGDAYFDQSHBRCBT-KGGZJZRKSA-N
MW393.42 g/mol
LogP3.30
Rot. Bonds6

About 2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol

2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol (PubChem CID 50991631) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol.

Molecular Properties

Compound Name2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
PubChem CID50991631
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
SMILESC/C(=N\OCCO)c1ccc2ncc([C@H](C)c3cc4cccnc4cc3F)n2n1
InChIInChI=1S/C21H20FN5O2/c1-13(16-10-15-4-3-7-23-19(15)11-17(16)22)20-12-24-21-6-5-18(25-27(20)21)14(2)26-29-9-8-28/h3-7,10-13,28H,8-9H2,1-2H3/b26-14+/t13-/m1/s1
InChIKeyGDAYFDQSHBRCBT-KGGZJZRKSA-N
XLogP3.30
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol 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-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?
The IUPAC name of 2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol (CID 50991631) is 2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol.
What is the SMILES notation for 2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?
The canonical SMILES for 2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol is C/C(=N\OCCO)c1ccc2ncc([C@H](C)c3cc4cccnc4cc3F)n2n1.
What is the InChIKey of 2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?
The InChIKey is GDAYFDQSHBRCBT-KGGZJZRKSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-13(16-10-15-4-3-7-23-19(15)11-17(16)22)20-12-24-21-6-5-18(25-27(20)21)14(2)26-29-9-8-28/h3-7,10-13,28H,8-9H2,1-2H3/b26-14+/t13-/m1/s1.
What are the key properties of 2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol?
2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol has a molecular weight of 393.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[3-[(1R)-1-(7-fluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol is sourced from PubChem (CID 50991631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).