N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine

C21H21N7O2 — CID 75994272

IUPACN-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(C=NNc2cc(N3CCOCC3)c3nc(-c4ccncc4)cn3n2)o1
InChIInChI=1S/C21H21N7O2/c1-15-2-3-17(30-15)13-23-25-20-12-19(27-8-10-29-11-9-27)21-24-18(14-28(21)26-20)16-4-6-22-7-5-16/h2-7,12-14H,8-11H2,1H3,(H,25,26)
InChIKeyRVCWNWYTVMKFQX-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.98
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine

N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 75994272) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID75994272
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC NameN-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(C=NNc2cc(N3CCOCC3)c3nc(-c4ccncc4)cn3n2)o1
InChIInChI=1S/C21H21N7O2/c1-15-2-3-17(30-15)13-23-25-20-12-19(27-8-10-29-11-9-27)21-24-18(14-28(21)26-20)16-4-6-22-7-5-16/h2-7,12-14H,8-11H2,1H3,(H,25,26)
InChIKeyRVCWNWYTVMKFQX-UHFFFAOYSA-N
XLogP2.98
TPSA93.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.98
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

1-(4-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
CID 159273580
1-(3-methylphenyl)-N-[(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)methyl]methanimine
CID 161314450
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
(3-methylphenyl)methyl-(8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)diazene
CID 123360720
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-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyridin-5-amine
CID 171463185
2-(4-methylphenyl)-N-[(3-methylphenyl)methylideneamino]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 76814775
1-methyl-2-(4-morpholin-4-yl-7-pyridin-4-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl)hydrazine
CID 167204673
N-[(Z)-(4-methylphenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
CID 6252798
4-N-(4-methylphenyl)-6-morpholin-4-yl-2-N-(pyridin-4-ylmethylideneamino)-1,3,5-triazine-2,4-diamine
CID 153389162

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine (CID 75994272) is N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine is Cc1ccc(C=NNc2cc(N3CCOCC3)c3nc(-c4ccncc4)cn3n2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is RVCWNWYTVMKFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-15-2-3-17(30-15)13-23-25-20-12-19(27-8-10-29-11-9-27)21-24-18(14-28(21)26-20)16-4-6-22-7-5-16/h2-7,12-14H,8-11H2,1H3,(H,25,26).
What are the key properties of N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine?
N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 403.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methylideneamino]-8-morpholin-4-yl-2-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 75994272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).