5-[[5-cyano-2-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonylamino]pyridin-4-yl]amino]indole-1-carboxylic acid

Systemtic Name: 5-[[5-cyano-2-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonylamino]pyridin-4-yl]amino]indole-1-carboxylic acid Openeye Name: 5-[[5-cyano-2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridyl]amino]indole-1-carboxylic acid CAS Name: 5-[[5-cyano-2-[[oxo-[4-(1-pyrrolidinyl)-1-piperidinyl]methyl]amino]-4-pyridinyl]amino]-1-indolecarboxylic acid IUPAC Name: 5-[[5-cyano-2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]pyridin-4-yl]amino]indole-1-carboxylic acid Traditional Name: 5-[[5-cyano-2-[(4-pyrrolidinopiperidine-1-carbonyl)amino]-4-pyridyl]amino]indole-1-carboxylic acid Formula: C25H27N7O3 MolecularWeight: 473.52698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)C(=O)NC3=NC=C(C(=C3)NC4=CC5=C(C=C4)N(C=C5)C(=O)O)C#N

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)C(=O)NC3=NC=C(C(=C3)NC4=CC5=C(C=C4)N(C=C5)C(=O)O)C#N

InChI

InChI=1S/C25H27N7O3/c26-15-18-16-27-23(29-24(33)31-10-6-20(7-11-31)30-8-1-2-9-30)14-21(18)28-19-3-4-22-17(13-19)5-12-32(22)25(34)35/h3-5,12-14,16,20H,1-2,6-11H2,(H,34,35)(H2,27,28,29,33)