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

C23H28N4O2 — CID 24994432

IUPAC6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(C2=NN(c3ccccn3)C(=O)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-18-6-4-15-26(18)16-5-17-29-20-10-8-19(9-11-20)21-12-13-23(28)27(25-21)22-7-2-3-14-24-22/h2-3,7-11,14,18H,4-6,12-13,15-17H2,1H3/t18-/m1/s1
InChIKeyLPOASHGXLCAYTN-GOSISDBHSA-N
MW392.50 g/mol
LogP3.87
Rot. Bonds7

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

6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-one (PubChem CID 24994432) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-one
PubChem CID24994432
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(C2=NN(c3ccccn3)C(=O)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-18-6-4-15-26(18)16-5-17-29-20-10-8-19(9-11-20)21-12-13-23(28)27(25-21)22-7-2-3-14-24-22/h2-3,7-11,14,18H,4-6,12-13,15-17H2,1H3/t18-/m1/s1
InChIKeyLPOASHGXLCAYTN-GOSISDBHSA-N
XLogP3.87
TPSA58.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.87
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 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-one (CID 24994432) is 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-one is C[C@@H]1CCCN1CCCOc1ccc(C2=NN(c3ccccn3)C(=O)CC2)cc1.
What is the InChIKey of 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-one?
The InChIKey is LPOASHGXLCAYTN-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-18-6-4-15-26(18)16-5-17-29-20-10-8-19(9-11-20)21-12-13-23(28)27(25-21)22-7-2-3-14-24-22/h2-3,7-11,14,18H,4-6,12-13,15-17H2,1H3/t18-/m1/s1.
What are the key properties of 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-one?
6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-one has a molecular weight of 392.50 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-pyridin-2-yl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 24994432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).