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

HCID 45484149
NotesReactions
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Basic information

Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)Nc4cccc(OC)c4)CC3)nc21
InChIKey
MCNCMGBOIQUDDP-UHFFFAOYSA-N
Molecular formula
C22H24N6O4S
Average molar mass
468.5 g/mol
Monoisotopic mass
468.15797444

Names & identifiers

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

Names & synonyms

CHEMBL5698652-(4-{[(3-Methoxyphenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic AcidSCHEMBL1809538MCNCMGBOIQUDDP-UHFFFAOYSA-NBDBM50300213

Database identifiers

PubChem CID
45484149
ChEMBL
CHEMBL569865

Properties

Computed structural properties

XLogP
2
Topological polar surface area
143 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
33

Related reactions

1 records
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Compound notes

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