877130-28-4
(R)-6-CYCLOPENTYL-6-[2-(2,6-DIETHYLPYRIDIN-4-YL)ETHYL]-3-[(5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL)METHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE
Name(R)-6-CYCLOPENTYL-6-[2-(2,6-DIETHYLPYRIDIN-4-YL)ETHYL]-3-[(5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL)METHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE
1Identification
【Name】
(R)-6-CYCLOPENTYL-6-[2-(2,6-DIETHYLPYRIDIN-4-YL)ETHYL]-3-[(5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL)METHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE
【CAS】
【MDL】
MFCD15528932
【English Synonyms】
【Formula】
C29 H37 N5 O3
【MolWeight】
503.643
【Inchi】
InChI=1S/C29H37N5O3/c1-5-22-14-20(15-23(6-2)31-22)11-12-29(21-9-7-8-10-21)17-25(35)24(27(36)37-29)16-26-32-28-30-18(3)13-19(4)34(28)33-26/h13-15,21,35H,5-12,16-17H2,1-4H3/t29-/m1/s1
【InChIKey】
InChIKey=SLVAPEZTBDBAPI-GDLZYMKVSA-N
【SMILES】
CCc1cc(cc(n1)CC)CC[C@@]2(CC(=C(C(=O)O2)Cc3nc4nc(cc(n4n3)C)C)O)C5CCCC5
【MOL File】
(R)-6-CYCLOPENTYL-6-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(R)-6-CYCLOPENTYL-6-[2-(2,6-DIETHYLPYRIDIN-4-YL)ETHYL]-3-[(5,7-DIMETHYL-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-2-YL)METHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE.cml