3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one

C23H28N4O2 — CID 57402850

IUPAC3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C(c3ccccn3)C2)cc1
InChIInChI=1S/C23H28N4O2/c1-17-6-4-13-27(17)14-5-15-29-19-10-8-18(9-11-19)22-16-20(23(28)26-25-22)21-7-2-3-12-24-21/h2-3,7-12,17,20H,4-6,13-16H2,1H3,(H,26,28)/t17-,20?/m1/s1
InChIKeyPSLXXKMQUAZROE-DIAVIDTQSA-N
MW392.50 g/mol
LogP3.34
Rot. Bonds7

About 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one

3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 57402850) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID57402850
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C(c3ccccn3)C2)cc1
InChIInChI=1S/C23H28N4O2/c1-17-6-4-13-27(17)14-5-15-29-19-10-8-18(9-11-19)22-16-20(23(28)26-25-22)21-7-2-3-12-24-21/h2-3,7-12,17,20H,4-6,13-16H2,1H3,(H,26,28)/t17-,20?/m1/s1
InChIKeyPSLXXKMQUAZROE-DIAVIDTQSA-N
XLogP3.34
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
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 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one (CID 57402850) is 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one is C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C(c3ccccn3)C2)cc1.
What is the InChIKey of 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is PSLXXKMQUAZROE-DIAVIDTQSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-6-4-13-27(17)14-5-15-29-19-10-8-18(9-11-19)22-16-20(23(28)26-25-22)21-7-2-3-12-24-21/h2-3,7-12,17,20H,4-6,13-16H2,1H3,(H,26,28)/t17-,20?/m1/s1.
What are the key properties of 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one?
3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 392.50 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 57402850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).