1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine

C24H24N6O — CID 161314450

IUPAC1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
SMILESCc1cccc(/C=N/Cc2cc(N3CCOCC3)c3nc(-c4ccncc4)cn3n2)c1
InChIInChI=1S/C24H24N6O/c1-18-3-2-4-19(13-18)15-26-16-21-14-23(29-9-11-31-12-10-29)24-27-22(17-30(24)28-21)20-5-7-25-8-6-20/h2-8,13-15,17H,9-12,16H2,1H3/b26-15+
InChIKeyVJHVOBMPWGTVPU-CVKSISIWSA-N
MW412.50 g/mol
LogP3.56
Rot. Bonds5

About 1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine

1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine (PubChem CID 161314450) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
PubChem CID161314450
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
SMILESCc1cccc(/C=N/Cc2cc(N3CCOCC3)c3nc(-c4ccncc4)cn3n2)c1
InChIInChI=1S/C24H24N6O/c1-18-3-2-4-19(13-18)15-26-16-21-14-23(29-9-11-31-12-10-29)24-27-22(17-30(24)28-21)20-5-7-25-8-6-20/h2-8,13-15,17H,9-12,16H2,1H3/b26-15+
InChIKeyVJHVOBMPWGTVPU-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-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
CID 159273580
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
(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-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 75994272
4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-N-propylaniline
CID 58531158
1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58530985
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
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine
CID 171463185
N,N-bis(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline
CID 58531113

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine?
The IUPAC name of 1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine (CID 161314450) is 1-(3-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-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine?
The canonical SMILES for 1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine is Cc1cccc(/C=N/Cc2cc(N3CCOCC3)c3nc(-c4ccncc4)cn3n2)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine?
The InChIKey is VJHVOBMPWGTVPU-CVKSISIWSA-N. The full InChI is InChI=1S/C24H24N6O/c1-18-3-2-4-19(13-18)15-26-16-21-14-23(29-9-11-31-12-10-29)24-27-22(17-30(24)28-21)20-5-7-25-8-6-20/h2-8,13-15,17H,9-12,16H2,1H3/b26-15+.
What are the key properties of 1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine?
1-(3-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-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine is sourced from PubChem (CID 161314450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).