5-tert-butyl-N-[(3S)-1-[6-[(5-piperazin-1-ylpyridin-2-yl)amino]pyridazin-4-yl]piperidin-3-yl]pyridine-2-carboxamide

Systemtic Name: 5-tert-butyl-N-[(3S)-1-[6-[(5-piperazin-1-ylpyridin-2-yl)amino]pyridazin-4-yl]piperidin-3-yl]pyridine-2-carboxamide Openeye Name: 5-tert-butyl-N-[(3S)-1-[6-[(5-piperazin-1-yl-2-pyridyl)amino]pyridazin-4-yl]-3-piperidyl]pyridine-2-carboxamide CAS Name: 5-tert-butyl-N-[(3S)-1-[6-[[5-(1-piperazinyl)-2-pyridinyl]amino]-4-pyridazinyl]-3-piperidinyl]-2-pyridinecarboxamide IUPAC Name: 5-tert-butyl-N-[(3S)-1-[6-[(5-piperazin-1-ylpyridin-2-yl)amino]pyridazin-4-yl]piperidin-3-yl]pyridine-2-carboxamide Traditional Name: 5-tert-butyl-N-[(3S)-1-[6-[(5-piperazino-2-pyridyl)amino]pyridazin-4-yl]-3-piperidyl]picolinamide Formula: C28H37N9O MolecularWeight: 515.65308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN=C(C=C1)C(=O)NC2CCCN(C2)C3=CC(=NN=C3)NC4=NC=C(C=C4)N5CCNCC5

Isomeric SMILES

CC(C)(C)C1=CN=C(C=C1)C(=O)N[C@H]2CCCN(C2)C3=CC(=NN=C3)NC4=NC=C(C=C4)N5CCNCC5

InChI

InChI=1S/C28H37N9O/c1-28(2,3)20-6-8-24(30-16-20)27(38)33-21-5-4-12-37(19-21)23-15-26(35-32-18-23)34-25-9-7-22(17-31-25)36-13-10-29-11-14-36/h6-9,15-18,21,29H,4-5,10-14,19H2,1-3H3,(H,33,38)(H,31,34,35)/t21-/m0/s1