N,N-diethyl-1-[3-ethyl-7-(pyrimidin-4-ylamino)-1-[2-[2,2,2-tris(fluoranyl)ethoxy]ethyl]pyrazolo[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide

Systemtic Name: N,N-diethyl-1-[3-ethyl-7-(pyrimidin-4-ylamino)-1-[2-[2,2,2-tris(fluoranyl)ethoxy]ethyl]pyrazolo[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide Openeye Name: N,N-diethyl-1-[3-ethyl-7-(pyrimidin-4-ylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide CAS Name: N,N-diethyl-1-[3-ethyl-7-(4-pyrimidinylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]-5-pyrazolo[4,3-d]pyrimidinyl]-3-piperidinecarboxamide IUPAC Name: N,N-diethyl-1-[3-ethyl-7-(pyrimidin-4-ylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,3-d]pyrimidin-5-yl]piperidine-3-carboxamide Traditional Name: N,N-diethyl-1-[3-ethyl-7-(4-pyrimidylamino)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,3-d]pyrimidin-5-yl]nipecotamide Formula: C25H34F3N9O2 MolecularWeight: 549.59177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C2=C1N=C(N=C2NC3=NC=NC=C3)N4CCCC(C4)C(=O)N(CC)CC)CCOCC(F)(F)F

Isomeric SMILES

CCC1=NN(C2=C1N=C(N=C2NC3=NC=NC=C3)N4CCCC(C4)C(=O)N(CC)CC)CCOCC(F)(F)F

InChI

InChI=1S/C25H34F3N9O2/c1-4-18-20-21(37(34-18)12-13-39-15-25(26,27)28)22(31-19-9-10-29-16-30-19)33-24(32-20)36-11-7-8-17(14-36)23(38)35(5-2)6-3/h9-10,16-17H,4-8,11-15H2,1-3H3,(H,29,30,31,32,33)