N-(3-(2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)acrylamide

HCID 72201501
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Basic information

Standard SMILES
C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1
InChIKey
VJQPNQROUWVJQN-UHFFFAOYSA-N
Molecular formula
C29H31N7O3
Average molar mass
525.6 g/mol
Monoisotopic mass
525.24883788

Names & identifiers

Preferred name
N-(3-(2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)acrylamide
IUPAC
N-[3-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide

Names & synonyms

CHEMBL3633143SCHEMBL15993102VJQPNQROUWVJQN-UHFFFAOYSA-NBDBM50131841PD136936N-(3-(2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)acrylamide

Database identifiers

PubChem CID
72201501
ChEMBL
CHEMBL3633143
Nikkaji
J3.454.809I

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
39

Related reactions

1 records
New reaction record

Compound notes

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