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[4-(5-Chloropyrido[2,3-d]pyridazin-8-yl)-3-methylpiperazin-1-yl]-phenylmethanone

HCID 76585151
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1CN(C(=O)c2ccccc2)CCN1c1nnc(Cl)c2cccnc12
InChIKey
CUKHJINLLRCLFP-UHFFFAOYSA-N
Molecular formula
C19H18ClN5O
Average molar mass
367.8 g/mol
Monoisotopic mass
367.1199879

Names & identifiers

Preferred name
[4-(5-Chloropyrido[2,3-d]pyridazin-8-yl)-3-methylpiperazin-1-yl]-phenylmethanone
IUPAC
[4-(5-chloropyrido[2,3-d]pyridazin-8-yl)-3-methylpiperazin-1-yl]-phenylmethanone

Names & synonyms

SCHEMBL4161945

Database identifiers

PubChem CID
76585151

Properties

Computed structural propertiesFilling in

XLogP
2.9
Topological polar surface area
62.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
26
Formal charge
0
Complexity
500

Related reactions

5 records
New reaction record
HRID 101275 reaction equation
HRID 101275As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1130938 reaction equation
HRID 1130938As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1203384 reaction equation
HRID 1203384As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1543250 reaction equation
HRID 1543250As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2310930 reaction equation
HRID 2310930As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes