Molecules/N-(2-((2-(Dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide
N-(2-((2-(Dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
Molecular Identity
N-(2-((2-(Dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
PubChem CID: 126670204
2D Structure
Properties
C27H32N8O3
Molecular Formula
516.60
Molecular Weight
g/mol
516.2597
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
110
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
773
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)N3C=CC4=C3C=CC(=N4)OC)OCIsomeric SMILES
SMILES: CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)N3C=CC4=C3C=CC(=N4)OC)OCSynonyms(10)
BEBT-1092050906-40-4N-(2-((2-(Dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamideorb1944112SCHEMBL18610333SCHEMBL30930094HY-W423595CS-0570258T80643N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
Data from PubChem (NCBI)
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Molecular Structure
N-(2-((2-(Dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide
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Drug Network
Trials and conditions connected to N-(2-((2-(Dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide
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