N-(2-chloranyl-4-fluoranyl-phenyl)-1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(2-chloranyl-4-fluoranyl-phenyl)-1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(2-chloro-4-fluoro-phenyl)-1-[4-(4-pyrrolidin-1-yl-1-piperidyl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(2-chloro-4-fluorophenyl)-1-[4-[4-(1-pyrrolidinyl)-1-piperidinyl]phenyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(2-chloro-4-fluorophenyl)-1-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (2-chloro-4-fluoro-phenyl)-[1-[4-(4-pyrrolidinopiperidino)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C26H27ClFN7 MolecularWeight: 491.990883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(CC2)C3=CC=C(C=C3)N4C5=C(C=N4)C(=NC=N5)NC6=C(C=C(C=C6)F)Cl

Isomeric SMILES

C1CCN(C1)C2CCN(CC2)C3=CC=C(C=C3)N4C5=C(C=N4)C(=NC=N5)NC6=C(C=C(C=C6)F)Cl

InChI

InChI=1S/C26H27ClFN7/c27-23-15-18(28)3-8-24(23)32-25-22-16-31-35(26(22)30-17-29-25)21-6-4-19(5-7-21)34-13-9-20(10-14-34)33-11-1-2-12-33/h3-8,15-17,20H,1-2,9-14H2,(H,29,30,32)