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

C28H28N8O — CID 70922163

IUPACN-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1cccc(C=NNc2cc(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/h3-10,15-19H,11-14H2,1-2H3,(H,32,33)
InChIKeyOIVQSBYOJLHLAY-UHFFFAOYSA-N
MW492.59 g/mol
LogP4.48
Rot. Bonds6

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

N-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 70922163) has the molecular formula C28H28N8O and a molecular weight of 492.59 g/mol. Its IUPAC name is N-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID70922163
Molecular FormulaC28H28N8O
Molecular Weight492.59 g/mol
Exact Mass492.24
IUPAC NameN-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1cccc(C=NNc2cc(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/h3-10,15-19H,11-14H2,1-2H3,(H,32,33)
InChIKeyOIVQSBYOJLHLAY-UHFFFAOYSA-N
XLogP4.48
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 89103784
(3-methylphenyl)methyl-[2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]diazene
CID 123514391
N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 75994272
N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-phenoxypyridin-2-amine
CID 59673970
1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
CID 161314450
3-methyl-N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-5-amine
CID 172568867
2-(4-methylphenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 76814775
6-N-[(E)-(3-methylphenyl)methylideneamino]-2-(5-pyridin-2-ylthiophen-2-yl)imidazo[1,2-b]pyridazine-6,8-diamine
CID 88939875
1-[[5-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]methyl]cyclopropane-1-carbonitrile
CID 172568809
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-yloxyethoxy)pyridin-2-amine
CID 66683643
2-(4-bromophenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 76814765
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 173486980

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine (CID 70922163) is N-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine is Cc1cccc(C=NNc2cc(N3CCOCC3)c3nc(-c4cnn(-c5ccccc5)c4C)cn3n2)c1.
What is the InChIKey of N-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is OIVQSBYOJLHLAY-UHFFFAOYSA-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/h3-10,15-19H,11-14H2,1-2H3,(H,32,33).
What are the key properties of N-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine?
N-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 492.59 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methylideneamino]-2-(5-methyl-1-phenylpyrazol-4-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 70922163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).