Pf-04447943
6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
Molecular Identity
Pf-04447943
6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID: 135564558
2D Structure
Properties
C20H25N7O2
Molecular Formula
395.50
Molecular Weight
g/mol
395.2070
Exact Mass
Da
0
XLogP
Drug-like (Lipinski: < 5)
97.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
632
Complexity
SMILES
Canonical SMILES
SMILES: CC1CN(CC1C2=NC3=C(C=NN3C4CCOCC4)C(=O)N2)CC5=NC=CC=N5Isomeric SMILES
SMILES: C[C@@H]1CN(C[C@H]1C2=NC3=C(C=NN3C4CCOCC4)C(=O)N2)CC5=NC=CC=N5Synonyms(20)
PF-044479431082744-20-47N969W8Y4O6-((3S,4S)-4-Methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one6-((3S,4S)-4-Methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo(3,4-d)pyrimidin-4-oneDTXSID8010255966-[(3s,4s)-4-Methyl-1-(Pyrimidin-2-Ylmethyl)pyrrolidin-3-Yl]-1-(Tetrahydro-2h-Pyran-4-Yl)-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-6-((3S,4S)-4-methyl-1-(2-pyrimidinylmethyl)-3-pyrrolidinyl)-1-(tetrahydro-2H-pyran-4-yl)-4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5-dihydro-6-[(3S,4S)-4-methyl-1-(2-pyrimidinylmethyl)-3-pyrrolidinyl]-1-(tetrahydro-2H-pyran-4-yl)-RefChem:928926DTXCID0015098596-((3S,4S)-4-methyl-1-((pyrimidin-2-yl)methyl)pyrrolidin-3-yl)-1-(oxan-4-yl)-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-oneEdelinontrinePF-4447943PF 04447943
Data from PubChem (NCBI)
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