1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-(2-pyridin-4-ylethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-2-methyl-propan-1-one

Systemtic Name: 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-(2-pyridin-4-ylethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-2-methyl-propan-1-one Openeye Name: 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[2-(3,5-dimethylphenyl)-3-[(1S)-1-methyl-2-[2-(4-pyridyl)ethylamino]ethyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-2-methyl-propan-1-one CAS Name: 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-(2-pyridin-4-ylethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-2-methyl-1-propanone IUPAC Name: 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[2-(3,5-dimethylphenyl)-3-[(2S)-1-(2-pyridin-4-ylethylamino)propan-2-yl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-2-methylpropan-1-one Traditional Name: 1-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[2-(3,5-dimethylphenyl)-3-[(1S)-1-methyl-2-[2-(4-pyridyl)ethylamino]ethyl]-1H-pyrrolo[2,3-c]pyridin-5-yl]-2-methyl-propan-1-one Formula: C35H43N5O MolecularWeight: 549.74882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=NC=C3N2)C(C)(C)C(=O)N4C5CCC4CC5)C(C)CNCCC6=CC=NC=C6)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=NC=C3N2)C(C)(C)C(=O)N4C5CCC4CC5)[C@H](C)CNCCC6=CC=NC=C6)C

InChI

InChI=1S/C35H43N5O/c1-22-16-23(2)18-26(17-22)33-32(24(3)20-37-15-12-25-10-13-36-14-11-25)29-19-31(38-21-30(29)39-33)35(4,5)34(41)40-27-6-7-28(40)9-8-27/h10-11,13-14,16-19,21,24,27-28,37,39H,6-9,12,15,20H2,1-5H3/t24-,27?,28?/m1/s1