2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one

C20H17ClN4O2 — CID 139027657

IUPAC2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=C(Cc1ccccc1Cl)N1CC(n2nc(-c3ccncc3)ccc2=O)C1
InChIInChI=1S/C20H17ClN4O2/c21-17-4-2-1-3-15(17)11-20(27)24-12-16(13-24)25-19(26)6-5-18(23-25)14-7-9-22-10-8-14/h1-10,16H,11-13H2
InChIKeyCJJMQHYMOISOHW-UHFFFAOYSA-N
MW380.84 g/mol
LogP2.58
Rot. Bonds4

About 2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one

2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 139027657) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID139027657
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=C(Cc1ccccc1Cl)N1CC(n2nc(-c3ccncc3)ccc2=O)C1
InChIInChI=1S/C20H17ClN4O2/c21-17-4-2-1-3-15(17)11-20(27)24-12-16(13-24)25-19(26)6-5-18(23-25)14-7-9-22-10-8-14/h1-10,16H,11-13H2
InChIKeyCJJMQHYMOISOHW-UHFFFAOYSA-N
XLogP2.58
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-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

Related Compounds

2-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 139027819
2-(1-butanoylazetidin-3-yl)-6-phenylpyridazin-3-one
CID 92586204
2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
CID 121154697
3-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155047
2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662368
6-(4-chlorophenyl)-2-[1-(1H-pyrazole-5-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 139027620
2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 139027961
2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936695
6-(4-chlorophenyl)-2-[1-(oxolane-3-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 139028939
1-(3-bromopyrrolidin-1-yl)-2-(2-chlorophenyl)ethanone
CID 80677513
6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 139023744
(3S,4S)-1-[2-(2-chlorophenyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98536830

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one (CID 139027657) is 2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one is O=C(Cc1ccccc1Cl)N1CC(n2nc(-c3ccncc3)ccc2=O)C1.
What is the InChIKey of 2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is CJJMQHYMOISOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c21-17-4-2-1-3-15(17)11-20(27)24-12-16(13-24)25-19(26)6-5-18(23-25)14-7-9-22-10-8-14/h1-10,16H,11-13H2.
What are the key properties of 2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one?
2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 380.84 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 139027657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).