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

C20H27N3O2 — CID 24995678

IUPAC2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
SMILESC[C@@H](COc1ccc(-c2ccc(=O)n(C)n2)cc1)CN1CCC[C@H]1C
InChIInChI=1S/C20H27N3O2/c1-15(13-23-12-4-5-16(23)2)14-25-18-8-6-17(7-9-18)19-10-11-20(24)22(3)21-19/h6-11,15-16H,4-5,12-14H2,1-3H3/t15-,16-/m1/s1
InChIKeyVHKZHZYOGPESQF-HZPDHXFCSA-N
MW341.46 g/mol
LogP2.95
Rot. Bonds6

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

2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one (PubChem CID 24995678) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
PubChem CID24995678
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
SMILESC[C@@H](COc1ccc(-c2ccc(=O)n(C)n2)cc1)CN1CCC[C@H]1C
InChIInChI=1S/C20H27N3O2/c1-15(13-23-12-4-5-16(23)2)14-25-18-8-6-17(7-9-18)19-10-11-20(24)22(3)21-19/h6-11,15-16H,4-5,12-14H2,1-3H3/t15-,16-/m1/s1
InChIKeyVHKZHZYOGPESQF-HZPDHXFCSA-N
XLogP2.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-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 2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one (CID 24995678) is 2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one is C[C@@H](COc1ccc(-c2ccc(=O)n(C)n2)cc1)CN1CCC[C@H]1C.
What is the InChIKey of 2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
The InChIKey is VHKZHZYOGPESQF-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(13-23-12-4-5-16(23)2)14-25-18-8-6-17(7-9-18)19-10-11-20(24)22(3)21-19/h6-11,15-16H,4-5,12-14H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of 2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one?
2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one has a molecular weight of 341.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[(2R)-2-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one is sourced from PubChem (CID 24995678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).