(3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene

C28H28N8O — CID 123514391

IUPAC(3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene
SMILESCc1cccc(C/N=N/c2cc(N3CCOCC3)c3nc(-c4cnn(-c5ccccc5)c4C)cn3n2)c1
InChIInChI=1S/C28H28N8O/c1-20-7-6-8-22(15-20)17-29-32-27-16-26(34-11-13-37-14-12-34)28-31-25(19-35(28)33-27)24-18-30-36(21(24)2)23-9-4-3-5-10-23/h3-10,15-16,18-19H,11-14,17H2,1-2H3/b32-29+
InChIKeyUCZVVNKGBMXIIL-UUDCSCGESA-N
MW492.59 g/mol
LogP5.32
Rot. Bonds6

About (3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene

(3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene (PubChem CID 123514391) has the molecular formula C28H28N8O and a molecular weight of 492.59 g/mol. Its IUPAC name is (3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene.

Molecular Properties

Compound Name(3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene
PubChem CID123514391
Molecular FormulaC28H28N8O
Molecular Weight492.59 g/mol
Exact Mass492.24
IUPAC Name(3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene
SMILESCc1cccc(C/N=N/c2cc(N3CCOCC3)c3nc(-c4cnn(-c5ccccc5)c4C)cn3n2)c1
InChIInChI=1S/C28H28N8O/c1-20-7-6-8-22(15-20)17-29-32-27-16-26(34-11-13-37-14-12-34)28-31-25(19-35(28)33-27)24-18-30-36(21(24)2)23-9-4-3-5-10-23/h3-10,15-16,18-19H,11-14,17H2,1-2H3/b32-29+
InChIKeyUCZVVNKGBMXIIL-UUDCSCGESA-N
XLogP5.32
TPSA85.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.59
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene
CID 123360720
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
(2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene
CID 91896224
3-[2-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-4-yl]propylboronic acid
CID 91101589
1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
CID 161314450
4-[[6-[(3-methylphenyl)methyldiazenyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanenitrile
CID 91056793
(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
[6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91022452
benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123256118
1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
CID 159273580

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene?
The IUPAC name of (3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene (CID 123514391) is (3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene.
What is the SMILES notation for (3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene?
The canonical SMILES for (3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene is Cc1cccc(C/N=N/c2cc(N3CCOCC3)c3nc(-c4cnn(-c5ccccc5)c4C)cn3n2)c1.
What is the InChIKey of (3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene?
The InChIKey is UCZVVNKGBMXIIL-UUDCSCGESA-N. The full InChI is InChI=1S/C28H28N8O/c1-20-7-6-8-22(15-20)17-29-32-27-16-26(34-11-13-37-14-12-34)28-31-25(19-35(28)33-27)24-18-30-36(21(24)2)23-9-4-3-5-10-23/h3-10,15-16,18-19H,11-14,17H2,1-2H3/b32-29+.
What are the key properties of (3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene?
(3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene has a molecular weight of 492.59 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene is sourced from PubChem (CID 123514391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).