N-(3-(2-((2-methoxy-4-(4-methyl-1-piperazinyl)phenyl)amino)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)-2-propenamide

HCID 72201349
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Basic information

Standard SMILES
C=CC(=O)Nc1cccc(-n2c(=O)ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1
InChIKey
HOQHLSXELYFJKC-UHFFFAOYSA-N
Molecular formula
C28H29N7O3
Average molar mass
511.6 g/mol

Names & identifiers

Preferred name
N-(3-(2-((2-methoxy-4-(4-methyl-1-piperazinyl)phenyl)amino)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)-2-propenamide
IUPAC
N-[3-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide

Names & synonyms

CHEMBL3633142SCHEMBL15752485HOQHLSXELYFJKC-UHFFFAOYSA-NBDBM50131840PD138660N-(3-(2-((2-methoxy-4-(4-methyl-1-piperazinyl)phenyl)amino)-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)-2-propenamide

Database identifiers

PubChem CID
72201349
ChEMBL
CHEMBL3633142
Nikkaji
J3.454.811K

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
103 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
38

Related reactions

1 records
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Compound notes

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