3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine

C18H16N4O2 — CID 71744577

IUPAC3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine
SMILESc1ccc2oc(-c3cnc4ccc(O[C@@H]5CCNC5)nn34)cc2c1
InChIInChI=1S/C18H16N4O2/c1-2-4-15-12(3-1)9-16(24-15)14-11-20-17-5-6-18(21-22(14)17)23-13-7-8-19-10-13/h1-6,9,11,13,19H,7-8,10H2/t13-/m1/s1
InChIKeyUTSHYKDFDYBLPT-CYBMUJFWSA-N
MW320.35 g/mol
LogP2.88
Rot. Bonds3

About 3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine

3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine (PubChem CID 71744577) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine
PubChem CID71744577
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine
SMILESc1ccc2oc(-c3cnc4ccc(O[C@@H]5CCNC5)nn34)cc2c1
InChIInChI=1S/C18H16N4O2/c1-2-4-15-12(3-1)9-16(24-15)14-11-20-17-5-6-18(21-22(14)17)23-13-7-8-19-10-13/h1-6,9,11,13,19H,7-8,10H2/t13-/m1/s1
InChIKeyUTSHYKDFDYBLPT-CYBMUJFWSA-N
XLogP2.88
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine?
The IUPAC name of 3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine (CID 71744577) is 3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine is c1ccc2oc(-c3cnc4ccc(O[C@@H]5CCNC5)nn34)cc2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine?
The InChIKey is UTSHYKDFDYBLPT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-2-4-15-12(3-1)9-16(24-15)14-11-20-17-5-6-18(21-22(14)17)23-13-7-8-19-10-13/h1-6,9,11,13,19H,7-8,10H2/t13-/m1/s1.
What are the key properties of 3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine?
3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine has a molecular weight of 320.35 g/mol, XLogP of 2.88, 3 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-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine is sourced from PubChem (CID 71744577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).