2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one

C24H28N4O2 — CID 24996325

IUPAC2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
SMILESCc1cccc(-n2ncc(-c3ccc(OCCCN4CCC[C@H]4C)cc3)cc2=O)n1
InChIInChI=1S/C24H28N4O2/c1-18-6-3-8-23(26-18)28-24(29)16-21(17-25-28)20-9-11-22(12-10-20)30-15-5-14-27-13-4-7-19(27)2/h3,6,8-12,16-17,19H,4-5,7,13-15H2,1-2H3/t19-/m1/s1
InChIKeyZKBYTERDWDMGKM-LJQANCHMSA-N
MW404.51 g/mol
LogP3.86
Rot. Bonds7

About 2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one

2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one (PubChem CID 24996325) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
PubChem CID24996325
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
SMILESCc1cccc(-n2ncc(-c3ccc(OCCCN4CCC[C@H]4C)cc3)cc2=O)n1
InChIInChI=1S/C24H28N4O2/c1-18-6-3-8-23(26-18)28-24(29)16-21(17-25-28)20-9-11-22(12-10-20)30-15-5-14-27-13-4-7-19(27)2/h3,6,8-12,16-17,19H,4-5,7,13-15H2,1-2H3/t19-/m1/s1
InChIKeyZKBYTERDWDMGKM-LJQANCHMSA-N
XLogP3.86
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.86
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-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one (CID 24996325) is 2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one is Cc1cccc(-n2ncc(-c3ccc(OCCCN4CCC[C@H]4C)cc3)cc2=O)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The InChIKey is ZKBYTERDWDMGKM-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-18-6-3-8-23(26-18)28-24(29)16-21(17-25-28)20-9-11-22(12-10-20)30-15-5-14-27-13-4-7-19(27)2/h3,6,8-12,16-17,19H,4-5,7,13-15H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one has a molecular weight of 404.51 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one is sourced from PubChem (CID 24996325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).