2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine

C19H17ClN4O3 — CID 78166691

IUPAC2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine
SMILESClc1ccc2oc(-c3cnc4ccc(OCC5CNCCO5)nn34)cc2c1
InChIInChI=1S/C19H17ClN4O3/c20-13-1-2-16-12(7-13)8-17(27-16)15-10-22-18-3-4-19(23-24(15)18)26-11-14-9-21-5-6-25-14/h1-4,7-8,10,14,21H,5-6,9,11H2
InChIKeyPOIYCPALZMAQKT-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.16
Rot. Bonds4

About 2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine

2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine (PubChem CID 78166691) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine.

Molecular Properties

Compound Name2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine
PubChem CID78166691
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine
SMILESClc1ccc2oc(-c3cnc4ccc(OCC5CNCCO5)nn34)cc2c1
InChIInChI=1S/C19H17ClN4O3/c20-13-1-2-16-12(7-13)8-17(27-16)15-10-22-18-3-4-19(23-24(15)18)26-11-14-9-21-5-6-25-14/h1-4,7-8,10,14,21H,5-6,9,11H2
InChIKeyPOIYCPALZMAQKT-UHFFFAOYSA-N
XLogP3.16
TPSA73.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine?
The IUPAC name of 2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine (CID 78166691) is 2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine.
What is the SMILES notation for 2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine?
The canonical SMILES for 2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine is Clc1ccc2oc(-c3cnc4ccc(OCC5CNCCO5)nn34)cc2c1.
What is the InChIKey of 2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine?
The InChIKey is POIYCPALZMAQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c20-13-1-2-16-12(7-13)8-17(27-16)15-10-22-18-3-4-19(23-24(15)18)26-11-14-9-21-5-6-25-14/h1-4,7-8,10,14,21H,5-6,9,11H2.
What are the key properties of 2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine?
2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine has a molecular weight of 384.82 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine is sourced from PubChem (CID 78166691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).