3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one

C18H21N3O2 — CID 24993806

IUPAC3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(O[C@@H]3CCN(C4CCC4)C3)cc2)n[nH]1
InChIInChI=1S/C18H21N3O2/c22-18-9-8-17(19-20-18)13-4-6-15(7-5-13)23-16-10-11-21(12-16)14-2-1-3-14/h4-9,14,16H,1-3,10-12H2,(H,20,22)/t16-/m1/s1
InChIKeyOCHPHHUZWDXJFZ-MRXNPFEDSA-N
MW311.39 g/mol
LogP2.44
Rot. Bonds4

About 3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one

3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one (PubChem CID 24993806) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one
PubChem CID24993806
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(O[C@@H]3CCN(C4CCC4)C3)cc2)n[nH]1
InChIInChI=1S/C18H21N3O2/c22-18-9-8-17(19-20-18)13-4-6-15(7-5-13)23-16-10-11-21(12-16)14-2-1-3-14/h4-9,14,16H,1-3,10-12H2,(H,20,22)/t16-/m1/s1
InChIKeyOCHPHHUZWDXJFZ-MRXNPFEDSA-N
XLogP2.44
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-1H-pyridazin-6-one
CID 44540998
3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine
CID 141200375
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
CID 58522853
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 59651877
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
3-(1-methylpiperidin-4-yl)oxy-1H-pyridazin-6-one
CID 70846019
4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-propan-2-ylpyridin-2-one
CID 11710659
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one
CID 66784665
3-(4-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117399119
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
CID 68789971
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one
CID 58522828
5-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]-1H-pyridin-2-one
CID 11371220

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one (CID 24993806) is 3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one is O=c1ccc(-c2ccc(O[C@@H]3CCN(C4CCC4)C3)cc2)n[nH]1.
What is the InChIKey of 3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one?
The InChIKey is OCHPHHUZWDXJFZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18-9-8-17(19-20-18)13-4-6-15(7-5-13)23-16-10-11-21(12-16)14-2-1-3-14/h4-9,14,16H,1-3,10-12H2,(H,20,22)/t16-/m1/s1.
What are the key properties of 3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one?
3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one has a molecular weight of 311.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 24993806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).