171050-45-6
2-[6-OXO-3-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1(6H)-PYRIDAZINYL]-1-CYCLOHEXENE-1-ACETIC ACID
Name2-[6-OXO-3-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1(6H)-PYRIDAZINYL]-1-CYCLOHEXENE-1-ACETIC ACID
1Identification
【Name】
2-[6-OXO-3-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1(6H)-PYRIDAZINYL]-1-CYCLOHEXENE-1-ACETIC ACID
【CAS】
【MDL】
MFCD16876544
【English Synonyms】
【Formula】
C25 H22 N4 O3
【MolWeight】
426.474
【Inchi】
InChI=1S/C25H22N4O3/c30-22-14-13-19(26-29(22)20-11-5-4-10-18(20)16-23(31)32)24-21-12-6-7-15-28(21)27-25(24)17-8-2-1-3-9-17/h1-3,6-10,12-15,20H,4-5,11,16H2,(H,31,32)
【InChIKey】
InChIKey=CAFSFBZWNUJRGB-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2c(c3ccccn3n2)c4ccc(=O)n(n4)C5CCCC=C5CC(=O)O
【MOL File】
2-[6-OXO-3-(2-PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[6-OXO-3-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1(6H)-PYRIDAZINYL]-1-CYCLOHEXENE-1-ACETIC ACID.cml