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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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).