AB52885
955365-80-7 | 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one
Manufacturer: A2B Chem
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CatalogNumber
AB52885
ChemicalName
1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)pyrazolo[3,4-d]pyrimidin-3-one
CasNumber
955365-80-7
MolecularFormula
C27H32N8O2
MolecularWeight
500.5954
MdlNumber
MFCD17215200
Smiles
C=CCn1c(=O)c2c(n1c1cccc(n1)C(O)(C)C)nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C
Complexity
795
Covalently-bondedUnitCount
1
HeavyAtomCount
37
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
3.1
