N-[(5-{6-[4-(dimethylamino)phenyl]-2-methylpyrimidin-4-yl}-1-azabicyclo[2.2.2]octan-2-yl)methyl]furan-2-carboxamide
AlkaPlorer ID: AK140541
Synonym: None
IUPAC Name: N-[[(2R,4S,5R)-5-[6-[4-(dimethylamino)phenyl]-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]furan-2-carboxamide
Structure
SMILES: CC1=NC(C2=CC=C(N(C)C)C=C2)=CC([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C2=CC=CO2)=N1
InChI: InChI=1S/C26H31N5O2/c1-17-28-23(18-6-8-20(9-7-18)30(2)3)14-24(29-17)22-16-31-11-10-19(22)13-21(31)15-27-26(32)25-5-4-12-33-25/h4-9,12,14,19,21-22H,10-11,13,15-16H2,1-3H3,(H,27,32)/t19-,21+,22-/m0/s1
InChIKey: VTLCZXXXIWUNCY-NNWRFLSQSA-N
Source
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Properties Information
Molecule Weight: 445.5670000000002
TPSA？: 74.5
MolLogP？: 3.718820000000002
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
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