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

C24H29N3O2 — CID 57399328

IUPAC6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenyl-4,5-dihydropyridazin-3-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C24H29N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-20(11-13-22)23-14-15-24(28)27(25-23)21-8-3-2-4-9-21/h2-4,8-13,19H,5-7,14-18H2,1H3/t19-/m1/s1
InChIKeyHEYZSSFLEAIFEF-LJQANCHMSA-N
MW391.51 g/mol
LogP4.47
Rot. Bonds7

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

6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 57399328) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenyl-4,5-dihydropyridazin-3-one
PubChem CID57399328
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenyl-4,5-dihydropyridazin-3-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1
InChIInChI=1S/C24H29N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-20(11-13-22)23-14-15-24(28)27(25-23)21-8-3-2-4-9-21/h2-4,8-13,19H,5-7,14-18H2,1H3/t19-/m1/s1
InChIKeyHEYZSSFLEAIFEF-LJQANCHMSA-N
XLogP4.47
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenyl-4,5-dihydropyridazin-3-one (CID 57399328) is 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenyl-4,5-dihydropyridazin-3-one is C[C@@H]1CCCN1CCCOc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1.
What is the InChIKey of 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is HEYZSSFLEAIFEF-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-20(11-13-22)23-14-15-24(28)27(25-23)21-8-3-2-4-9-21/h2-4,8-13,19H,5-7,14-18H2,1H3/t19-/m1/s1.
What are the key properties of 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenyl-4,5-dihydropyridazin-3-one?
6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 391.51 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 57399328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).