571188-82-4
1-PIPERAZINECARBOXYLIC ACID, 4-[6-[(6-BROMO-8-CYCLOPENTYL-7,8-DIHYDRO-5-METHYL-7-OXOPYRIDO[2,3-D]PYRIMIDIN-2-YL)AMINO]-3-PYRIDINYL]-, 1,1-DIMETHYLETHYL ESTER
Name1-PIPERAZINECARBOXYLIC ACID, 4-[6-[(6-BROMO-8-CYCLOPENTYL-7,8-DIHYDRO-5-METHYL-7-OXOPYRIDO[2,3-D]PYRIMIDIN-2-YL)AMINO]-3-PYRIDINYL]-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1-PIPERAZINECARBOXYLIC ACID, 4-[6-[(6-BROMO-8-CYCLOPENTYL-7,8-DIHYDRO-5-METHYL-7-OXOPYRIDO[2,3-D]PYRIMIDIN-2-YL)AMINO]-3-PYRIDINYL]-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD09834002
【English Synonyms】
【Formula】
C27 H34 Br N7 O3
【MolWeight】
584.516
【Inchi】
InChI=1S/C27H34BrN7O3/c1-17-20-16-30-25(32-23(20)35(24(36)22(17)28)18-7-5-6-8-18)31-21-10-9-19(15-29-21)33-11-13-34(14-12-33)26(37)38-27(2,3)4/h9-10,15-16,18H,5-8,11-14H2,1-4H3,(H,29,30,31,32)
【InChIKey】
InChIKey=UTSOLZWQDXJQRH-UHFFFAOYSA-N
【SMILES】
Cc1c2cnc(nc2n(c(=O)c1Br)C3CCCC3)Nc4ccc(cn4)N5CCN(CC5)C(=O)OC(C)(C)C
【MOL File】
1-PIPERAZINECARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:10
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERAZINECARBOXYLIC ACID, 4-[6-[(6-BROMO-8-CYCLOPENTYL-7,8-DIHYDRO-5-METHYL-7-OXOPYRIDO[2,3-D]PYRIMIDIN-2-YL)AMINO]-3-PYRIDINYL]-, 1,1-DIMETHYLETHYL ESTER.cml