6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile

C22H17FN6O — CID 44519018

IUPAC6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(N4CCOCC4c4cccc(F)c4)nn23)nc1
InChIInChI=1S/C22H17FN6O/c23-17-3-1-2-16(10-17)20-14-30-9-8-28(20)22-7-6-21-26-13-19(29(21)27-22)18-5-4-15(11-24)12-25-18/h1-7,10,12-13,20H,8-9,14H2
InChIKeyIJLPHTULWQNJHO-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.38
Rot. Bonds3

About 6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile

6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile (PubChem CID 44519018) has the molecular formula C22H17FN6O and a molecular weight of 400.42 g/mol. Its IUPAC name is 6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
PubChem CID44519018
Molecular FormulaC22H17FN6O
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC Name6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(N4CCOCC4c4cccc(F)c4)nn23)nc1
InChIInChI=1S/C22H17FN6O/c23-17-3-1-2-16(10-17)20-14-30-9-8-28(20)22-7-6-21-26-13-19(29(21)27-22)18-5-4-15(11-24)12-25-18/h1-7,10,12-13,20H,8-9,14H2
InChIKeyIJLPHTULWQNJHO-UHFFFAOYSA-N
XLogP3.38
TPSA79.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile 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 6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile (CID 44519018) is 6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile is N#Cc1ccc(-c2cnc3ccc(N4CCOCC4c4cccc(F)c4)nn23)nc1.
What is the InChIKey of 6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile?
The InChIKey is IJLPHTULWQNJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O/c23-17-3-1-2-16(10-17)20-14-30-9-8-28(20)22-7-6-21-26-13-19(29(21)27-22)18-5-4-15(11-24)12-25-18/h1-7,10,12-13,20H,8-9,14H2.
What are the key properties of 6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile?
6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile has a molecular weight of 400.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 44519018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).