2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one

C20H26FN3O2 — CID 24992190

IUPAC2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(CCF)n2)cc1
InChIInChI=1S/C20H26FN3O2/c1-16-4-2-12-23(16)13-3-15-26-18-7-5-17(6-8-18)19-9-10-20(25)24(22-19)14-11-21/h5-10,16H,2-4,11-15H2,1H3/t16-/m1/s1
InChIKeyLBRODLJSFLEILM-MRXNPFEDSA-N
MW359.45 g/mol
LogP3.13
Rot. Bonds8

About 2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one

2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one (PubChem CID 24992190) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
PubChem CID24992190
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(CCF)n2)cc1
InChIInChI=1S/C20H26FN3O2/c1-16-4-2-12-23(16)13-3-15-26-18-7-5-17(6-8-18)19-9-10-20(25)24(22-19)14-11-21/h5-10,16H,2-4,11-15H2,1H3/t16-/m1/s1
InChIKeyLBRODLJSFLEILM-MRXNPFEDSA-N
XLogP3.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The IUPAC name of 2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one (CID 24992190) is 2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one.
What is the SMILES notation for 2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The canonical SMILES for 2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one is C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(CCF)n2)cc1.
What is the InChIKey of 2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The InChIKey is LBRODLJSFLEILM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-16-4-2-12-23(16)13-3-15-26-18-7-5-17(6-8-18)19-9-10-20(25)24(22-19)14-11-21/h5-10,16H,2-4,11-15H2,1H3/t16-/m1/s1.
What are the key properties of 2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one has a molecular weight of 359.45 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one is sourced from PubChem (CID 24992190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).