3-({[(3S,3aR,6S,6aR)-6-({4-[4-(dimethylamino)phenyl]pyrimidin-2-yl}amino)-hexahydrofuro[3,2-b]furan-3-yl]amino}methyl)benzonitrile
AlkaPlorer ID: AK171086
Synonym: None
IUPAC Name: 3-[[[(3S,3aS,6R,6aR)-6-[[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]methyl]benzonitrile
Structure
SMILES: CN(C)C1=CC=C(C2=CC=NC(N[C@@H]3CO[C@@H]4[C@@H]3OC[C@@H]4NCC3=CC=CC(C#N)=C3)=N2)C=C1
InChI: InChI=1S/C26H28N6O2/c1-32(2)20-8-6-19(7-9-20)21-10-11-28-26(30-21)31-23-16-34-24-22(15-33-25(23)24)29-14-18-5-3-4-17(12-18)13-27/h3-12,22-25,29H,14-16H2,1-2H3,(H,28,30,31)/t22-,23+,24-,25+/m0/s1
InChIKey: SMEWJYIPSLQHEV-FQUZAXHOSA-N
Reference
PubChem CID: 163165249
Source
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Properties Information
Molecule Weight: 456.5500000000002
TPSA？: 95.33
MolLogP？: 2.817780000000001
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 5
Activities Information
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