2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone

C17H19N3O4 — CID 91627507

IUPAC2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone
SMILESCOc1ccc(OC2CCN(C(=O)C(O)c3ccccc3)C2)nn1
InChIInChI=1S/C17H19N3O4/c1-23-14-7-8-15(19-18-14)24-13-9-10-20(11-13)17(22)16(21)12-5-3-2-4-6-12/h2-8,13,16,21H,9-11H2,1H3
InChIKeyJMJMXAAHBOUNJC-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.20
Rot. Bonds5

About 2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone

2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone (PubChem CID 91627507) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone
PubChem CID91627507
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone
SMILESCOc1ccc(OC2CCN(C(=O)C(O)c3ccccc3)C2)nn1
InChIInChI=1S/C17H19N3O4/c1-23-14-7-8-15(19-18-14)24-13-9-10-20(11-13)17(22)16(21)12-5-3-2-4-6-12/h2-8,13,16,21H,9-11H2,1H3
InChIKeyJMJMXAAHBOUNJC-UHFFFAOYSA-N
XLogP1.20
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone (CID 91627507) is 2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone is COc1ccc(OC2CCN(C(=O)C(O)c3ccccc3)C2)nn1.
What is the InChIKey of 2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone?
The InChIKey is JMJMXAAHBOUNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-23-14-7-8-15(19-18-14)24-13-9-10-20(11-13)17(22)16(21)12-5-3-2-4-6-12/h2-8,13,16,21H,9-11H2,1H3.
What are the key properties of 2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone?
2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 329.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 91627507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).