Danusertib
N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
Molecular Identity
Danusertib
N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID: 11442891
N-[5-[(2R)-2-methoxy-1-oxo-2-phenylethyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methyl-1-piperazinyl)benzamide is a member of piperazines.
2D Structure
Properties
C26H30N6O3
Molecular Formula
474.60
Molecular Weight
g/mol
474.2379
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
93.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
731
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC4=C3CN(C4)C(=O)C(C5=CC=CC=C5)OCIsomeric SMILES
SMILES: CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC4=C3CN(C4)C(=O)[C@@H](C5=CC=CC=C5)OCSynonyms(20)
Danusertib827318-97-8PHA-739358PHA 739358PHA739358M3X659D0FYN-(5-((2R)-2-methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamideN-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamideN-{5-[(2R)-2-methoxy-2-phenylacetyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamidedanusertibumN-(5-((2R)-2-methoxy-2-phenylacetyl)-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamideN-(5-((2R)-2-methoxy-2-phenylacetyl)-4,6-dihydro-1H-pyrrolo(3,4-d)pyrazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamideRefChem:919641Benzamide, 4-(4-methyl-1-piperazinyl)-N-(1,4,5,6-tetrahydro-5-((2R)-methoxyphenylacetyl)pyrrolo(3,4-c)pyrazol-3-yl)-Danusertib (PHA-739358)
Data from PubChem (NCBI)
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