[(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone

C24H21N5O4 — CID 90368899

About [(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone

[(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone (PubChem CID 90368899) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is [(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone
• PubChem CID: 90368899
• Molecular Formula: C24H21N5O4
• Molecular Weight: 443.46 g/mol
• Exact Mass: 443.16
• IUPAC Name: [(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone
• SMILES: O=C(c1cnoc1)N1CCC[C@H]1CCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
• InChI: InChI=1S/C24H21N5O4/c30-24(17-13-26-32-15-17)28-10-3-5-18(28)9-11-31-23-8-7-22-25-14-19(29(22)27-23)21-12-16-4-1-2-6-20(16)33-21/h1-2,4,6-8,12-15,18H,3,5,9-11H2/t18-/m0/s1
• InChIKey: KCWJKOFQLBCIFA-SFHVURJKSA-N
• XLogP: 4.20
• TPSA: 98.90 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.46
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone?

The IUPAC name of [(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone (CID 90368899) is [(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone.

What is the SMILES notation for [(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone?

The canonical SMILES for [(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone is O=C(c1cnoc1)N1CCC[C@H]1CCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1.

What is the InChIKey of [(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone?

The InChIKey is KCWJKOFQLBCIFA-SFHVURJKSA-N. The full InChI is InChI=1S/C24H21N5O4/c30-24(17-13-26-32-15-17)28-10-3-5-18(28)9-11-31-23-8-7-22-25-14-19(29(22)27-23)21-12-16-4-1-2-6-20(16)33-21/h1-2,4,6-8,12-15,18H,3,5,9-11H2/t18-/m0/s1.

What are the key properties of [(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone?

[(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone has a molecular weight of 443.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]pyrrolidin-1-yl]-(1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 90368899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).