N-methyl-N-[(3R,4R)-4-methyl-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

Systemtic Name: N-methyl-N-[(3R,4R)-4-methyl-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine Openeye Name: N-methyl-N-[(3R,4R)-4-methyl-1-(4-pyridylmethylsulfonyl)-3-piperidyl]-1H-pyrrolo[2,3-b]pyridin-4-amine CAS Name: N-methyl-N-[(3R,4R)-4-methyl-1-(pyridin-4-ylmethylsulfonyl)-3-piperidinyl]-1H-pyrrolo[2,3-b]pyridin-4-amine IUPAC Name: N-methyl-N-[(3R,4R)-4-methyl-1-(pyridin-4-ylmethylsulfonyl)piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine Traditional Name: methyl-[(3R,4R)-4-methyl-1-(4-pyridylmethylsulfonyl)-3-piperidyl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)amine Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1N(C)C2=C3C=CNC3=NC=C2)S(=O)(=O)CC4=CC=NC=C4

Isomeric SMILES

C[C@@H]1CCN(C[C@@H]1N(C)C2=C3C=CNC3=NC=C2)S(=O)(=O)CC4=CC=NC=C4

InChI

InChI=1S/C20H25N5O2S/c1-15-7-12-25(28(26,27)14-16-3-8-21-9-4-16)13-19(15)24(2)18-6-11-23-20-17(18)5-10-22-20/h3-6,8-11,15,19H,7,12-14H2,1-2H3,(H,22,23)/t15-,19+/m1/s1