N-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide

C21H22N6O4 — CID 118226869

IUPACN-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2ncc(-c3cc4c(N5CCOCC5)nccc4o3)n2n1
InChIInChI=1S/C21H22N6O4/c1-29-9-6-23-21(28)15-2-3-19-24-13-16(27(19)25-15)18-12-14-17(31-18)4-5-22-20(14)26-7-10-30-11-8-26/h2-5,12-13H,6-11H2,1H3,(H,23,28)
InChIKeyWGGGLERYINLRRP-UHFFFAOYSA-N
MW422.45 g/mol
LogP1.75
Rot. Bonds6

About N-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide

N-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide (PubChem CID 118226869) has the molecular formula C21H22N6O4 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
PubChem CID118226869
Molecular FormulaC21H22N6O4
Molecular Weight422.45 g/mol
Exact Mass422.17
IUPAC NameN-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2ncc(-c3cc4c(N5CCOCC5)nccc4o3)n2n1
InChIInChI=1S/C21H22N6O4/c1-29-9-6-23-21(28)15-2-3-19-24-13-16(27(19)25-15)18-12-14-17(31-18)4-5-22-20(14)26-7-10-30-11-8-26/h2-5,12-13H,6-11H2,1H3,(H,23,28)
InChIKeyWGGGLERYINLRRP-UHFFFAOYSA-N
XLogP1.75
TPSA107.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide (CID 118226869) is N-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide is COCCNC(=O)c1ccc2ncc(-c3cc4c(N5CCOCC5)nccc4o3)n2n1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
The InChIKey is WGGGLERYINLRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4/c1-29-9-6-23-21(28)15-2-3-19-24-13-16(27(19)25-15)18-12-14-17(31-18)4-5-22-20(14)26-7-10-30-11-8-26/h2-5,12-13H,6-11H2,1H3,(H,23,28).
What are the key properties of N-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide?
N-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-morpholin-4-ylfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazine-6-carboxamide is sourced from PubChem (CID 118226869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).