US9783524, Example 74
N-[5-[[5-chloro-4-[2-[2-(dimethylamino)-2-oxoacetyl]anilino]pyrimidin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
Molecular Identity
US9783524, Example 74
N-[5-[[5-chloro-4-[2-[2-(dimethylamino)-2-oxoacetyl]anilino]pyrimidin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
PubChem CID: 87055351
2D Structure
Properties
C29H33ClN8O4
Molecular Formula
593.10
Molecular Weight
g/mol
592.2313
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
132
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
10
H-Bond Acceptors
949
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCN(CC1)C2=CC(=C(C=C2NC(=O)C=C)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)C(=O)N(C)C)Cl)OCIsomeric SMILES
SMILES: CN1CCN(CC1)C2=CC(=C(C=C2NC(=O)C=C)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)C(=O)N(C)C)Cl)OCSynonyms(11)
1644502-33-9Synthesis of Compound 74orb2665603CHEMBL5910757SCHEMBL16370785US9783524, Example 74BDBM344704BPI-15086HY-164464T200004N-[5-[[5-chloro-4-[2-[2-(dimethylamino)-2-oxoacetyl]anilino]pyrimidin-2-yl]amino]-4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
Data from PubChem (NCBI)
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