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

C23H23N7O — CID 123360720

IUPAC(3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene
SMILESCc1cccc(C/N=N/c2cc(N3CCOCC3)c3nc(-c4ccncc4)cn3n2)c1
InChIInChI=1S/C23H23N7O/c1-17-3-2-4-18(13-17)15-25-27-22-14-21(29-9-11-31-12-10-29)23-26-20(16-30(23)28-22)19-5-7-24-8-6-19/h2-8,13-14,16H,9-12,15H2,1H3/b27-25+
InChIKeyZMSXMPYFKJZAGN-IMVLJIQESA-N
MW413.49 g/mol
LogP4.22
Rot. Bonds5

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

(3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene (PubChem CID 123360720) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is (3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene.

Molecular Properties

Compound Name(3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene
PubChem CID123360720
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name(3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene
SMILESCc1cccc(C/N=N/c2cc(N3CCOCC3)c3nc(-c4ccncc4)cn3n2)c1
InChIInChI=1S/C23H23N7O/c1-17-3-2-4-18(13-17)15-25-27-22-14-21(29-9-11-31-12-10-29)23-26-20(16-30(23)28-22)19-5-7-24-8-6-19/h2-8,13-14,16H,9-12,15H2,1H3/b27-25+
InChIKeyZMSXMPYFKJZAGN-IMVLJIQESA-N
XLogP4.22
TPSA80.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene
CID 123514391
1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
CID 161314450
1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
CID 159273580
(2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene
CID 91896224
1-(3-ethenylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
CID 158279619
3-[2-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-4-yl]propylboronic acid
CID 91101589
N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 75994272
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-[4-morpholin-4-yl-6-(2-pyrazin-2-ylethoxy)-2-pyridinyl]diazene
CID 91221280
3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol
CID 91061886
4-[[6-[(3-methylphenyl)methyldiazenyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanenitrile
CID 91056793
benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123256118

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene?
The IUPAC name of (3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene (CID 123360720) is (3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene.
What is the SMILES notation for (3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene?
The canonical SMILES for (3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene is Cc1cccc(C/N=N/c2cc(N3CCOCC3)c3nc(-c4ccncc4)cn3n2)c1.
What is the InChIKey of (3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene?
The InChIKey is ZMSXMPYFKJZAGN-IMVLJIQESA-N. The full InChI is InChI=1S/C23H23N7O/c1-17-3-2-4-18(13-17)15-25-27-22-14-21(29-9-11-31-12-10-29)23-26-20(16-30(23)28-22)19-5-7-24-8-6-19/h2-8,13-14,16H,9-12,15H2,1H3/b27-25+.
What are the key properties of (3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene?
(3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene has a molecular weight of 413.49 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene is sourced from PubChem (CID 123360720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).