chempirical

1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-4-piperidinecarboxamide

C25H25Cl2N7OCAS 686344-29-6510.42 g/mol

Open in Covalent MOL file
HNH2NONNNNClNCl
Aryl halideSecondary amineTertiary amine

Properties

Molecular formula
C25H25Cl2N7O
Molar mass
510.42 g/mol
Exact mass
509.1498 Da
logP
5.27Crippen estimate
Polar surface area
103.0 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
6

Identifiers

CAS number
686344-29-6
SMILES
CCNC1(C(=N)O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1
InChIKey
UNAZAADNBYXMIV-UHFFFAOYSA-N
InChI
InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)

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Names and synonyms

5 names
  • 4-Piperidinecarboxamide, 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-
  • 1-[9-(4-Chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl]-4-ethylaminopiperidine-4-carboxamide
  • Otenabant
  • 1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide
  • CP 945,598

Work with 1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-4-piperidinecarboxamide

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Elsewhere

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