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

C24H27N3O2 — CID 67010937

IUPAC2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one
SMILESCC1CCCN1CCCOc1ccc(-n2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C24H27N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-21(11-13-22)27-24(28)15-14-23(25-27)20-8-3-2-4-9-20/h2-4,8-15,19H,5-7,16-18H2,1H3
InChIKeyVRXXUAQLNCEEKD-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.15
Rot. Bonds7

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

2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one (PubChem CID 67010937) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one
PubChem CID67010937
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one
SMILESCC1CCCN1CCCOc1ccc(-n2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C24H27N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-21(11-13-22)27-24(28)15-14-23(25-27)20-8-3-2-4-9-20/h2-4,8-15,19H,5-7,16-18H2,1H3
InChIKeyVRXXUAQLNCEEKD-UHFFFAOYSA-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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Related Compounds

2-benzyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 53363720
4-benzyl-2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 59651910
5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 56663350
1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperidin-2-one
CID 124565502
3-methyl-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-[1]benzothiolo[2,3-d]pyrazole
CID 24782527
2-ethyl-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]quinazolin-4-one
CID 11696812
3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-thiophen-2-ylpyridazine
CID 66630475
3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 24995991
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine
CID 143841531
5-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-propan-2-ylpyridazin-3-one
CID 67010533
N-cyclohexyl-5-methyl-2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazole-3-carboxamide
CID 24783028

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one (CID 67010937) is 2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one is CC1CCCN1CCCOc1ccc(-n2nc(-c3ccccc3)ccc2=O)cc1.
What is the InChIKey of 2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one?
The InChIKey is VRXXUAQLNCEEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-21(11-13-22)27-24(28)15-14-23(25-27)20-8-3-2-4-9-20/h2-4,8-15,19H,5-7,16-18H2,1H3.
What are the key properties of 2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one?
2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-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 2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 67010937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).