N-[2-methyl-4-(2-piperidin-1-ylethyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

Systemtic Name: N-[2-methyl-4-(2-piperidin-1-ylethyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine Openeye Name: N-[2-methyl-4-[2-(1-piperidyl)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine CAS Name: N-[2-methyl-4-[2-(1-piperidinyl)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine IUPAC Name: N-[2-methyl-4-(2-piperidin-1-ylethyl)phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine Traditional Name: [2-methyl-4-(2-piperidinoethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amine Formula: C25H28N6 MolecularWeight: 412.53002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCN2CCCCC2)NC3=NC=CC(=N3)C4=CNC5=C4C=CC=N5

Isomeric SMILES

CC1=C(C=CC(=C1)CCN2CCCCC2)NC3=NC=CC(=N3)C4=CNC5=C4C=CC=N5

InChI

InChI=1S/C25H28N6/c1-18-16-19(10-15-31-13-3-2-4-14-31)7-8-22(18)29-25-27-12-9-23(30-25)21-17-28-24-20(21)6-5-11-26-24/h5-9,11-12,16-17H,2-4,10,13-15H2,1H3,(H,26,28)(H,27,29,30)