3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine

C20H19ClN4O2 — CID 78166712

IUPAC3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine
SMILESClc1ccc2oc(-c3cnc4ccc(OCCC5CCCN5)nn34)cc2c1
InChIInChI=1S/C20H19ClN4O2/c21-14-3-4-17-13(10-14)11-18(27-17)16-12-23-19-5-6-20(24-25(16)19)26-9-7-15-2-1-8-22-15/h3-6,10-12,15,22H,1-2,7-9H2
InChIKeyYLHUDFFIQWPVDH-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.32
Rot. Bonds5

About 3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine

3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine (PubChem CID 78166712) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine
PubChem CID78166712
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine
SMILESClc1ccc2oc(-c3cnc4ccc(OCCC5CCCN5)nn34)cc2c1
InChIInChI=1S/C20H19ClN4O2/c21-14-3-4-17-13(10-14)11-18(27-17)16-12-23-19-5-6-20(24-25(16)19)26-9-7-15-2-1-8-22-15/h3-6,10-12,15,22H,1-2,7-9H2
InChIKeyYLHUDFFIQWPVDH-UHFFFAOYSA-N
XLogP4.32
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
CID 129171703
benzene;2-[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethanamine
CID 144548771
3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
CID 71744510
2-[[3-(5-chloro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]morpholine
CID 78166691
6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one
CID 144686366
1-[(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]propan-1-one
CID 90368898
3-(6-methoxy-1-benzofuran-2-yl)-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]imidazo[1,2-b]pyridazine
CID 121440040
(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 78322620
5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one
CID 90357590
3-[3-(5-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclobutan-1-amine
CID 71509431
[2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
CID 78321691
N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-1-amine
CID 71077181

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine (CID 78166712) is 3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine is Clc1ccc2oc(-c3cnc4ccc(OCCC5CCCN5)nn34)cc2c1.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine?
The InChIKey is YLHUDFFIQWPVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c21-14-3-4-17-13(10-14)11-18(27-17)16-12-23-19-5-6-20(24-25(16)19)26-9-7-15-2-1-8-22-15/h3-6,10-12,15,22H,1-2,7-9H2.
What are the key properties of 3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine?
3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine has a molecular weight of 382.85 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 78166712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).