N6-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxy-phenyl)-N4-(2-propan-2-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-4,6-diamine

Systemtic Name: N6-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxy-phenyl)-N4-(2-propan-2-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-4,6-diamine Openeye Name: N6-[2-isopropoxy-5-methyl-4-(4-piperidyl)phenyl]-N4-(2-isopropylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-4,6-diamine CAS Name: N6-[5-methyl-4-(4-piperidinyl)-2-propan-2-yloxyphenyl]-N4-(2-propan-2-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-4,6-diamine IUPAC Name: 6-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-4,6-diamine Traditional Name: [6-[2-isopropoxy-5-methyl-4-(4-piperidyl)anilino]-1H-pyrrolo[2,3-b]pyridin-4-yl]-(2-isopropylsulfonylphenyl)amine Formula: C31H39N5O3S MolecularWeight: 561.73806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC4=C(C=CN4)C(=C3)NC5=CC=CC=C5S(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC4=C(C=CN4)C(=C3)NC5=CC=CC=C5S(=O)(=O)C(C)C

InChI

InChI=1S/C31H39N5O3S/c1-19(2)39-28-17-24(22-10-13-32-14-11-22)21(5)16-27(28)35-30-18-26(23-12-15-33-31(23)36-30)34-25-8-6-7-9-29(25)40(37,38)20(3)4/h6-9,12,15-20,22,32H,10-11,13-14H2,1-5H3,(H3,33,34,35,36)