(5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

C18H20ClN3O3 — CID 129332964

About (5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

(5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (PubChem CID 129332964) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• PubChem CID: 129332964
• Molecular Formula: C18H20ClN3O3
• Molecular Weight: 361.83 g/mol
• Exact Mass: 361.12
• IUPAC Name: (5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• SMILES: O=C(c1ccc(Cl)o1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1
• InChI: InChI=1S/C18H20ClN3O3/c19-16-6-5-15(25-16)18(23)22-11-7-13(12-22)24-14-4-3-8-20-17(14)21-9-1-2-10-21/h3-6,8,13H,1-2,7,9-12H2/t13-/m1/s1
• InChIKey: LOEQDXZQEIWCER-CYBMUJFWSA-N
• XLogP: 3.22
• TPSA: 58.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.83
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The IUPAC name of (5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (CID 129332964) is (5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The canonical SMILES for (5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)o1)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1.

What is the InChIKey of (5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The InChIKey is LOEQDXZQEIWCER-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c19-16-6-5-15(25-16)18(23)22-11-7-13(12-22)24-14-4-3-8-20-17(14)21-9-1-2-10-21/h3-6,8,13H,1-2,7,9-12H2/t13-/m1/s1.

What are the key properties of (5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

(5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone has a molecular weight of 361.83 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-chlorofuran-2-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129332964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).