4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one

C18H21Cl2N3O — CID 19245512

IUPAC4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one
SMILESCC1CC(C)CN(c2cnn(Cc3ccccc3Cl)c(=O)c2Cl)C1
InChIInChI=1S/C18H21Cl2N3O/c1-12-7-13(2)10-22(9-12)16-8-21-23(18(24)17(16)20)11-14-5-3-4-6-15(14)19/h3-6,8,12-13H,7,9-11H2,1-2H3
InChIKeyPLTRBQHRDTVUFX-UHFFFAOYSA-N
MW366.29 g/mol
LogP4.08
Rot. Bonds3

About 4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one

4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one (PubChem CID 19245512) has the molecular formula C18H21Cl2N3O and a molecular weight of 366.29 g/mol. Its IUPAC name is 4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one
PubChem CID19245512
Molecular FormulaC18H21Cl2N3O
Molecular Weight366.29 g/mol
Exact Mass365.11
IUPAC Name4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one
SMILESCC1CC(C)CN(c2cnn(Cc3ccccc3Cl)c(=O)c2Cl)C1
InChIInChI=1S/C18H21Cl2N3O/c1-12-7-13(2)10-22(9-12)16-8-21-23(18(24)17(16)20)11-14-5-3-4-6-15(14)19/h3-6,8,12-13H,7,9-11H2,1-2H3
InChIKeyPLTRBQHRDTVUFX-UHFFFAOYSA-N
XLogP4.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(2-chlorophenyl)methyl]-5-methylpyridazin-3-one
CID 129240521
1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 27825659
2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
CID 779667
7-[(2-chlorophenyl)methyl]-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpurine-2,6-dione
CID 5096851
2-benzyl-4-chloro-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one
CID 133431658
2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one
CID 7844651
4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 2736823
1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
CID 17257572
2-benzyl-4-chloro-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317765
5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one
CID 114445742
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanol
CID 43121084
5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one
CID 133271704

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one (CID 19245512) is 4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one is CC1CC(C)CN(c2cnn(Cc3ccccc3Cl)c(=O)c2Cl)C1.
What is the InChIKey of 4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one?
The InChIKey is PLTRBQHRDTVUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O/c1-12-7-13(2)10-22(9-12)16-8-21-23(18(24)17(16)20)11-14-5-3-4-6-15(14)19/h3-6,8,12-13H,7,9-11H2,1-2H3.
What are the key properties of 4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one?
4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one has a molecular weight of 366.29 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-chlorophenyl)methyl]-5-(3,5-dimethylpiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 19245512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).