3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine

C19H18N4O2 — CID 71744510

IUPAC3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
SMILESc1ccc2oc(-c3cnc4ccc(OC[C@@H]5CCCN5)nn34)cc2c1
InChIInChI=1S/C19H18N4O2/c1-2-6-16-13(4-1)10-17(25-16)15-11-21-18-7-8-19(22-23(15)18)24-12-14-5-3-9-20-14/h1-2,4,6-8,10-11,14,20H,3,5,9,12H2/t14-/m0/s1
InChIKeyGTGOLIIHGCZQES-AWEZNQCLSA-N
MW334.38 g/mol
LogP3.27
Rot. Bonds4

About 3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine

3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine (PubChem CID 71744510) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
PubChem CID71744510
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
SMILESc1ccc2oc(-c3cnc4ccc(OC[C@@H]5CCCN5)nn34)cc2c1
InChIInChI=1S/C19H18N4O2/c1-2-6-16-13(4-1)10-17(25-16)15-11-21-18-7-8-19(22-23(15)18)24-12-14-5-3-9-20-14/h1-2,4,6-8,10-11,14,20H,3,5,9,12H2/t14-/m0/s1
InChIKeyGTGOLIIHGCZQES-AWEZNQCLSA-N
XLogP3.27
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine with MolForge

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Related Compounds

(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 78322620
6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one
CID 144686366
3-(5-chloro-1-benzofuran-2-yl)-6-(2-pyrrolidin-2-ylethoxy)imidazo[1,2-b]pyridazine
CID 78166712
3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine
CID 71744577
1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine
CID 71295127
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexan-1-amine
CID 78091697
(2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine
CID 129171531
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
N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-1-amine
CID 71077181
3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90317489
[(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 122585653
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(oxolan-3-yl)ethanamine
CID 71295129

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine (CID 71744510) is 3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine is c1ccc2oc(-c3cnc4ccc(OC[C@@H]5CCCN5)nn34)cc2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine?
The InChIKey is GTGOLIIHGCZQES-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-6-16-13(4-1)10-17(25-16)15-11-21-18-7-8-19(22-23(15)18)24-12-14-5-3-9-20-14/h1-2,4,6-8,10-11,14,20H,3,5,9,12H2/t14-/m0/s1.
What are the key properties of 3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine?
3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine has a molecular weight of 334.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 71744510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).