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

C24H27N3O2 — CID 53363719

IUPAC6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylpyridazin-3-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H27N3O2/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/h2-4,8-15,19H,5-7,16-18H2,1H3/t19-/m1/s1
InChIKeyPVSCDTBWUUAXJQ-LJQANCHMSA-N
MW389.50 g/mol
LogP4.15
Rot. Bonds7

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

6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylpyridazin-3-one (PubChem CID 53363719) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylpyridazin-3-one
PubChem CID53363719
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylpyridazin-3-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H27N3O2/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/h2-4,8-15,19H,5-7,16-18H2,1H3/t19-/m1/s1
InChIKeyPVSCDTBWUUAXJQ-LJQANCHMSA-N
XLogP4.15
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.15
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-phenylpyridazin-3-one?
The IUPAC name of 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylpyridazin-3-one (CID 53363719) is 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylpyridazin-3-one is C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylpyridazin-3-one?
The InChIKey is PVSCDTBWUUAXJQ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27N3O2/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/h2-4,8-15,19H,5-7,16-18H2,1H3/t19-/m1/s1.
What are the key properties of 6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylpyridazin-3-one?
6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-phenylpyridazin-3-one has a molecular weight of 389.50 g/mol, XLogP of 4.15, 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-phenylpyridazin-3-one is sourced from PubChem (CID 53363719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).