1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine

C24H24N6O — CID 159273580

IUPAC1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
SMILESCc1ccc(/C=N/Cc2cc(N3CCOCC3)c3nc(-c4ccncc4)cn3n2)cc1
InChIInChI=1S/C24H24N6O/c1-18-2-4-19(5-3-18)15-26-16-21-14-23(29-10-12-31-13-11-29)24-27-22(17-30(24)28-21)20-6-8-25-9-7-20/h2-9,14-15,17H,10-13,16H2,1H3/b26-15+
InChIKeyKXZXZIMYEUCXQE-CVKSISIWSA-N
MW412.50 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine

1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine (PubChem CID 159273580) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
PubChem CID159273580
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
SMILESCc1ccc(/C=N/Cc2cc(N3CCOCC3)c3nc(-c4ccncc4)cn3n2)cc1
InChIInChI=1S/C24H24N6O/c1-18-2-4-19(5-3-18)15-26-16-21-14-23(29-10-12-31-13-11-29)24-27-22(17-30(24)28-21)20-6-8-25-9-7-20/h2-9,14-15,17H,10-13,16H2,1H3/b26-15+
InChIKeyKXZXZIMYEUCXQE-CVKSISIWSA-N
XLogP3.56
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
CID 161314450
1-(3-ethenylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
CID 158279619
1-(3-hexan-2-ylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
CID 159116567
N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 75994272
(3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene
CID 123360720
1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
CID 58531081
N,N-bis(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline
CID 58531113
4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N-propylaniline
CID 58531158
N-[(E)-(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 89103784
N-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 70922163
1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58531005
(3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene
CID 123514391

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine?
The IUPAC name of 1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine (CID 159273580) is 1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine is Cc1ccc(/C=N/Cc2cc(N3CCOCC3)c3nc(-c4ccncc4)cn3n2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine?
The InChIKey is KXZXZIMYEUCXQE-CVKSISIWSA-N. The full InChI is InChI=1S/C24H24N6O/c1-18-2-4-19(5-3-18)15-26-16-21-14-23(29-10-12-31-13-11-29)24-27-22(17-30(24)28-21)20-6-8-25-9-7-20/h2-9,14-15,17H,10-13,16H2,1H3/b26-15+.
What are the key properties of 1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine?
1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine has a molecular weight of 412.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine is sourced from PubChem (CID 159273580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).