3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine

C22H22N6O3 — CID 123467029

IUPAC3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine
SMILESNC1CC(=COc2ccc3ncc(-c4cc5c(N6CCOCC6)nccc5o4)n3n2)C1
InChIInChI=1S/C22H22N6O3/c23-15-9-14(10-15)13-30-21-2-1-20-25-12-17(28(20)26-21)19-11-16-18(31-19)3-4-24-22(16)27-5-7-29-8-6-27/h1-4,11-13,15H,5-10,23H2/b14-13-
InChIKeyGCXULPINOWXNRU-YPKPFQOOSA-N
MW418.46 g/mol
LogP2.76
Rot. Bonds4

About 3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine

3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine (PubChem CID 123467029) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine
PubChem CID123467029
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine
SMILESNC1CC(=COc2ccc3ncc(-c4cc5c(N6CCOCC6)nccc5o4)n3n2)C1
InChIInChI=1S/C22H22N6O3/c23-15-9-14(10-15)13-30-21-2-1-20-25-12-17(28(20)26-21)19-11-16-18(31-19)3-4-24-22(16)27-5-7-29-8-6-27/h1-4,11-13,15H,5-10,23H2/b14-13-
InChIKeyGCXULPINOWXNRU-YPKPFQOOSA-N
XLogP2.76
TPSA103.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine?
The IUPAC name of 3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine (CID 123467029) is 3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine.
What is the SMILES notation for 3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine?
The canonical SMILES for 3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine is NC1CC(=COc2ccc3ncc(-c4cc5c(N6CCOCC6)nccc5o4)n3n2)C1.
What is the InChIKey of 3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine?
The InChIKey is GCXULPINOWXNRU-YPKPFQOOSA-N. The full InChI is InChI=1S/C22H22N6O3/c23-15-9-14(10-15)13-30-21-2-1-20-25-12-17(28(20)26-21)19-11-16-18(31-19)3-4-24-22(16)27-5-7-29-8-6-27/h1-4,11-13,15H,5-10,23H2/b14-13-.
What are the key properties of 3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine?
3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine has a molecular weight of 418.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethylidene]cyclobutan-1-amine is sourced from PubChem (CID 123467029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).