N-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine

C22H21N5O — CID 134808057

IUPACN-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine
SMILESc1ccc(-c2ccc3ncc(Nc4ccc(N5CCOCC5)cc4)n3n2)cc1
InChIInChI=1S/C22H21N5O/c1-2-4-17(5-3-1)20-10-11-21-23-16-22(27(21)25-20)24-18-6-8-19(9-7-18)26-12-14-28-15-13-26/h1-11,16,24H,12-15H2
InChIKeyOADGIZDOKYLIRM-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.98
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine

N-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine (PubChem CID 134808057) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine
PubChem CID134808057
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine
SMILESc1ccc(-c2ccc3ncc(Nc4ccc(N5CCOCC5)cc4)n3n2)cc1
InChIInChI=1S/C22H21N5O/c1-2-4-17(5-3-1)20-10-11-21-23-16-22(27(21)25-20)24-18-6-8-19(9-7-18)26-12-14-28-15-13-26/h1-11,16,24H,12-15H2
InChIKeyOADGIZDOKYLIRM-UHFFFAOYSA-N
XLogP3.98
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]morpholine
CID 90670266
4-morpholin-4-yl-N-phenylaniline
CID 159018746
N-(4-morpholin-4-ylphenyl)-2-phenylpyrido[3,4-b]pyrazin-7-amine
CID 127031677
6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-amine
CID 134807009
N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50776985
3-methyl-6-phenylimidazo[1,2-b]pyridazine
CID 13112863
N-(4-morpholin-4-ylphenyl)-2,9-diphenylpurin-6-amine
CID 117081365
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
N-(4-morpholin-4-ylphenyl)-[1,2,4]triazino[1,6-a]indol-2-amine
CID 66710560
6-methyl-N-(4-morpholin-4-ylphenyl)-2-phenylpyrimidin-4-amine
CID 117085579
N-(4-morpholin-4-ylphenyl)-2-(6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 121063679
6-methyl-N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 1193255

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine (CID 134808057) is N-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine is c1ccc(-c2ccc3ncc(Nc4ccc(N5CCOCC5)cc4)n3n2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine?
The InChIKey is OADGIZDOKYLIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-2-4-17(5-3-1)20-10-11-21-23-16-22(27(21)25-20)24-18-6-8-19(9-7-18)26-12-14-28-15-13-26/h1-11,16,24H,12-15H2.
What are the key properties of N-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine?
N-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine has a molecular weight of 371.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-6-phenylimidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 134808057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).