(2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine

C20H20N4O4 — CID 71744404

IUPAC(2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine
SMILESCOc1cccc2oc(-c3cnc4ccc(OC[C@H]5CNCCO5)nn34)cc12
InChIInChI=1S/C20H20N4O4/c1-25-16-3-2-4-17-14(16)9-18(28-17)15-11-22-19-5-6-20(23-24(15)19)27-12-13-10-21-7-8-26-13/h2-6,9,11,13,21H,7-8,10,12H2,1H3/t13-/m1/s1
InChIKeyFTQIOEQTZGNQQV-CYBMUJFWSA-N
MW380.40 g/mol
LogP2.52
Rot. Bonds5

About (2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine

(2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine (PubChem CID 71744404) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is (2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine
PubChem CID71744404
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name(2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine
SMILESCOc1cccc2oc(-c3cnc4ccc(OC[C@H]5CNCCO5)nn34)cc12
InChIInChI=1S/C20H20N4O4/c1-25-16-3-2-4-17-14(16)9-18(28-17)15-11-22-19-5-6-20(23-24(15)19)27-12-13-10-21-7-8-26-13/h2-6,9,11,13,21H,7-8,10,12H2,1H3/t13-/m1/s1
InChIKeyFTQIOEQTZGNQQV-CYBMUJFWSA-N
XLogP2.52
TPSA83.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine?
The IUPAC name of (2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine (CID 71744404) is (2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine.
What is the SMILES notation for (2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine?
The canonical SMILES for (2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine is COc1cccc2oc(-c3cnc4ccc(OC[C@H]5CNCCO5)nn34)cc12.
What is the InChIKey of (2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine?
The InChIKey is FTQIOEQTZGNQQV-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-25-16-3-2-4-17-14(16)9-18(28-17)15-11-22-19-5-6-20(23-24(15)19)27-12-13-10-21-7-8-26-13/h2-6,9,11,13,21H,7-8,10,12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine?
(2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine has a molecular weight of 380.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(4-methoxy-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine is sourced from PubChem (CID 71744404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).