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

C23H26N4O2 — CID 24996966

IUPAC3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-pyridin-2-yl-1H-pyridazin-6-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2n[nH]c(=O)cc2-c2ccccn2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-6-4-13-27(17)14-5-15-29-19-10-8-18(9-11-19)23-20(16-22(28)25-26-23)21-7-2-3-12-24-21/h2-3,7-12,16-17H,4-6,13-15H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyFDONLUADVNNDHR-QGZVFWFLSA-N
MW390.49 g/mol
LogP3.75
Rot. Bonds7

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

3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-pyridin-2-yl-1H-pyridazin-6-one (PubChem CID 24996966) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-pyridin-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-pyridin-2-yl-1H-pyridazin-6-one
PubChem CID24996966
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-pyridin-2-yl-1H-pyridazin-6-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(-c2n[nH]c(=O)cc2-c2ccccn2)cc1
InChIInChI=1S/C23H26N4O2/c1-17-6-4-13-27(17)14-5-15-29-19-10-8-18(9-11-19)23-20(16-22(28)25-26-23)21-7-2-3-12-24-21/h2-3,7-12,16-17H,4-6,13-15H2,1H3,(H,25,28)/t17-/m1/s1
InChIKeyFDONLUADVNNDHR-QGZVFWFLSA-N
XLogP3.75
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.75
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]-4-pyridin-2-yl-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-pyridin-2-yl-1H-pyridazin-6-one (CID 24996966) is 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-pyridin-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-pyridin-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-pyridin-2-yl-1H-pyridazin-6-one is C[C@@H]1CCCN1CCCOc1ccc(-c2n[nH]c(=O)cc2-c2ccccn2)cc1.
What is the InChIKey of 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-pyridin-2-yl-1H-pyridazin-6-one?
The InChIKey is FDONLUADVNNDHR-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-6-4-13-27(17)14-5-15-29-19-10-8-18(9-11-19)23-20(16-22(28)25-26-23)21-7-2-3-12-24-21/h2-3,7-12,16-17H,4-6,13-15H2,1H3,(H,25,28)/t17-/m1/s1.
What are the key properties of 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-pyridin-2-yl-1H-pyridazin-6-one?
3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-pyridin-2-yl-1H-pyridazin-6-one has a molecular weight of 390.49 g/mol, XLogP of 3.75, 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]-4-pyridin-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 24996966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).