N-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-1-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanamine

Systemtic Name: N-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-1-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanamine Openeye Name: N-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-1-[(3R)-1-pyrimidin-2-yl-3-piperidyl]methanamine CAS Name: N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(3R)-1-(2-pyrimidinyl)-3-piperidinyl]methanamine IUPAC Name: N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanamine Traditional Name: [5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[[(3R)-1-(2-pyrimidyl)-3-piperidyl]methyl]amine Formula: C21H25FN6O MolecularWeight: 396.461203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)CNCC3CCCN(C3)C4=NC=CC=N4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)CNC[C@H]3CCCN(C3)C4=NC=CC=N4)F

InChI

InChI=1S/C21H25FN6O/c1-29-17-5-6-18(19(22)10-17)20-16(13-26-27-20)12-23-11-15-4-2-9-28(14-15)21-24-7-3-8-25-21/h3,5-8,10,13,15,23H,2,4,9,11-12,14H2,1H3,(H,26,27)/t15-/m1/s1