2-(4-{[(3-Methylphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid

HCID 45484156
NotesReactions
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Basic information

Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)Nc4cccc(C)c4)CC3)nc21
InChIKey
JYLMGLUANWRHBN-UHFFFAOYSA-N
Molecular formula
C22H24N6O3S
Average molar mass
452.5 g/mol

Names & identifiers

Preferred name
2-(4-{[(3-Methylphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid
IUPAC
8-ethyl-2-[4-[(3-methylphenyl)carbamothioyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid

Names & synonyms

CHEMBL5698732-(4-{[(3-Methylphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic AcidSCHEMBL1810348JYLMGLUANWRHBN-UHFFFAOYSA-NBDBM50300215

Database identifiers

PubChem CID
45484156
ChEMBL
CHEMBL569873

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
134 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
32

Related reactions

1 records
New reaction record

Compound notes

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