4-[3-(phenylmethyl)imidazo[4,5-b]pyridin-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-[3-(phenylmethyl)imidazo[4,5-b]pyridin-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one CAS Name: 4-[3-(phenylmethyl)-2-imidazo[4,5-b]pyridinyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-1-[4-(2-pyrimidyl)piperazino]butan-1-one Formula: C25H27N7O MolecularWeight: 441.52818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCC3=NC4=C(N3CC5=CC=CC=C5)N=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCCC3=NC4=C(N3CC5=CC=CC=C5)N=CC=C4

InChI

InChI=1S/C25H27N7O/c33-23(30-15-17-31(18-16-30)25-27-13-6-14-28-25)11-4-10-22-29-21-9-5-12-26-24(21)32(22)19-20-7-2-1-3-8-20/h1-3,5-9,12-14H,4,10-11,15-19H2