N-methyl-N-[(3R,4R)-4-methyl-1-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine

Systemtic Name: N-methyl-N-[(3R,4R)-4-methyl-1-(5-pyridin-3-ylthiophen-2-yl)sulfonyl-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine Openeye Name: N-methyl-N-[(3R,4R)-4-methyl-1-[[5-(3-pyridyl)-2-thienyl]sulfonyl]-3-piperidyl]-1H-pyrrolo[2,3-b]pyridin-4-amine CAS Name: N-methyl-N-[(3R,4R)-4-methyl-1-[[5-(3-pyridinyl)-2-thiophenyl]sulfonyl]-3-piperidinyl]-1H-pyrrolo[2,3-b]pyridin-4-amine IUPAC Name: N-methyl-N-[(3R,4R)-4-methyl-1-(5-pyridin-3-ylthiophen-2-yl)sulfonylpiperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine Traditional Name: methyl-[(3R,4R)-4-methyl-1-[[5-(3-pyridyl)-2-thienyl]sulfonyl]-3-piperidyl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)amine Formula: C23H25N5O2S2 MolecularWeight: 467.6069

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1N(C)C2=C3C=CNC3=NC=C2)S(=O)(=O)C4=CC=C(S4)C5=CN=CC=C5

Isomeric SMILES

C[C@@H]1CCN(C[C@@H]1N(C)C2=C3C=CNC3=NC=C2)S(=O)(=O)C4=CC=C(S4)C5=CN=CC=C5

InChI

InChI=1S/C23H25N5O2S2/c1-16-9-13-28(15-20(16)27(2)19-8-12-26-23-18(19)7-11-25-23)32(29,30)22-6-5-21(31-22)17-4-3-10-24-14-17/h3-8,10-12,14,16,20H,9,13,15H2,1-2H3,(H,25,26)/t16-,20+/m1/s1