2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one

C20H27N3O3 — CID 59651916

IUPAC2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
SMILESCOCn1ncc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cc1=O
InChIInChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m1/s1
InChIKeyMURCULVYVOMYIO-MRXNPFEDSA-N
MW357.45 g/mol
LogP2.77
Rot. Bonds8

About 2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one

2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one (PubChem CID 59651916) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
PubChem CID59651916
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
SMILESCOCn1ncc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cc1=O
InChIInChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m1/s1
InChIKeyMURCULVYVOMYIO-MRXNPFEDSA-N
XLogP2.77
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The IUPAC name of 2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one (CID 59651916) is 2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one.
What is the SMILES notation for 2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The canonical SMILES for 2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one is COCn1ncc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)cc1=O.
What is the InChIKey of 2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The InChIKey is MURCULVYVOMYIO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one has a molecular weight of 357.45 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one is sourced from PubChem (CID 59651916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).