2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine

C22H19N5O3 — CID 78137241

IUPAC2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine
SMILESCOc1nccc2oc(-c3cnc4ccc(OCC(N)c5ccccc5)nn34)cc12
InChIInChI=1S/C22H19N5O3/c1-28-22-15-11-19(30-18(15)9-10-24-22)17-12-25-20-7-8-21(26-27(17)20)29-13-16(23)14-5-3-2-4-6-14/h2-12,16H,13,23H2,1H3
InChIKeyLIYSXLGOANGKNU-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.62
Rot. Bonds6

About 2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine

2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine (PubChem CID 78137241) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine.

Molecular Properties

Compound Name2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine
PubChem CID78137241
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine
SMILESCOc1nccc2oc(-c3cnc4ccc(OCC(N)c5ccccc5)nn34)cc12
InChIInChI=1S/C22H19N5O3/c1-28-22-15-11-19(30-18(15)9-10-24-22)17-12-25-20-7-8-21(26-27(17)20)29-13-16(23)14-5-3-2-4-6-14/h2-12,16H,13,23H2,1H3
InChIKeyLIYSXLGOANGKNU-UHFFFAOYSA-N
XLogP3.62
TPSA100.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine?
The IUPAC name of 2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine (CID 78137241) is 2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine.
What is the SMILES notation for 2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine?
The canonical SMILES for 2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine is COc1nccc2oc(-c3cnc4ccc(OCC(N)c5ccccc5)nn34)cc12.
What is the InChIKey of 2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine?
The InChIKey is LIYSXLGOANGKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-28-22-15-11-19(30-18(15)9-10-24-22)17-12-25-20-7-8-21(26-27(17)20)29-13-16(23)14-5-3-2-4-6-14/h2-12,16H,13,23H2,1H3.
What are the key properties of 2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine?
2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine has a molecular weight of 401.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-1-phenylethanamine is sourced from PubChem (CID 78137241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).