Apitolisib
(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
Molecular Identity
Apitolisib
(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
PubChem CID: 25254071
2D Structure
Properties
C23H30N8O3S
Molecular Formula
498.60
Molecular Weight
g/mol
498.2162
Exact Mass
Da
0.2
XLogP
Drug-like (Lipinski: < 5)
162
TPSA
May have limited oral absorption
2
H-Bond Donors
11
H-Bond Acceptors
715
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)C(C)OIsomeric SMILES
SMILES: CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)[C@H](C)OSynonyms(20)
Apitolisib1032754-93-0GDC-0980RG7422GNE 390RG 74221C854K1MIJGne-390RG-7422GDC-0980.1(2s)-1-(4-{[2-(2-Aminopyrimidin-5-Yl)-7-Methyl-4-(Morpholin-4-Yl)thieno[3,2-D]pyrimidin-6-Yl]methyl}piperazin-1-Yl)-2-Hydroxypropan-1-One(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-oneDTXSID50145738G-038390G-038390.1
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Apitolisib
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