(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one

C19H16N4O3 — CID 78322620

IUPAC(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](COc2ccc3ncc(-c4cc5ccccc5o4)n3n2)N1
InChIInChI=1S/C19H16N4O3/c24-18-7-5-13(21-18)11-25-19-8-6-17-20-10-14(23(17)22-19)16-9-12-3-1-2-4-15(12)26-16/h1-4,6,8-10,13H,5,7,11H2,(H,21,24)/t13-/m1/s1
InChIKeyWBUSKXJTNNDJBE-CYBMUJFWSA-N
MW348.36 g/mol
LogP2.80
Rot. Bonds4

About (5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one

(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 78322620) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is (5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
PubChem CID78322620
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](COc2ccc3ncc(-c4cc5ccccc5o4)n3n2)N1
InChIInChI=1S/C19H16N4O3/c24-18-7-5-13(21-18)11-25-19-8-6-17-20-10-14(23(17)22-19)16-9-12-3-1-2-4-15(12)26-16/h1-4,6,8-10,13H,5,7,11H2,(H,21,24)/t13-/m1/s1
InChIKeyWBUSKXJTNNDJBE-CYBMUJFWSA-N
XLogP2.80
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropyl]piperidin-2-one
CID 144686366
3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
CID 71744510
(5S)-5-[[3-[4-[(2R)-2-methylmorpholin-4-yl]-1-benzofuran-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 90358318
3-(1-benzofuran-2-yl)-6-[(3R)-pyrrolidin-3-yl]oxyimidazo[1,2-b]pyridazine
CID 71744577
(5R)-5-[[3-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 90358198
5-[2-[3-(4-methoxyfuro[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-2-one
CID 90357590
1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine
CID 71295127
5-[[3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]furo[3,2-c]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 123513480
(5R)-5-[[3-[4-[4-(dimethylamino)piperidin-1-yl]furo[2,3-b]pyridin-2-yl]imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one
CID 90358381
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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one (CID 78322620) is (5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one is O=C1CC[C@H](COc2ccc3ncc(-c4cc5ccccc5o4)n3n2)N1.
What is the InChIKey of (5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is WBUSKXJTNNDJBE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-18-7-5-13(21-18)11-25-19-8-6-17-20-10-14(23(17)22-19)16-9-12-3-1-2-4-15(12)26-16/h1-4,6,8-10,13H,5,7,11H2,(H,21,24)/t13-/m1/s1.
What are the key properties of (5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one?
(5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 348.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 78322620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).