503555-55-3
8-(5-CHLORO-2-(4-METHYLPIPERAZIN-1-YL)ISONICOTINAMIDO)-1-(4-FLUOROPHENYL)-4,5-DIHYDRO-1H-BENZO[G]INDAZOLE-3-CARBOXAMIDE
Name8-(5-CHLORO-2-(4-METHYLPIPERAZIN-1-YL)ISONICOTINAMIDO)-1-(4-FLUOROPHENYL)-4,5-DIHYDRO-1H-BENZO[G]INDAZOLE-3-CARBOXAMIDE
FormulaC29 H27 Cl F N7 O2
1Identification
【Name】
8-(5-CHLORO-2-(4-METHYLPIPERAZIN-1-YL)ISONICOTINAMIDO)-1-(4-FLUOROPHENYL)-4,5-DIHYDRO-1H-BENZO[G]INDAZOLE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD17166977
【English Synonyms】
【Formula】
C29 H27 Cl F N7 O2
【MolWeight】
560.03
【Inchi】
InChI=1S/C29H27ClFN7O2/c1-36-10-12-37(13-11-36)25-15-23(24(30)16-33-25)29(40)34-19-6-2-17-3-9-21-26(28(32)39)35-38(27(21)22(17)14-19)20-7-4-18(31)5-8-20/h2,4-8,14-16H,3,9-13H2,1H3,(H2,32,39)(H,34,40)
【InChIKey】
InChIKey=ZLEZHGHFWIHCGU-UHFFFAOYSA-N
【SMILES】
CN1CCN(CC1)c2cc(c(cn2)Cl)C(=O)Nc3ccc4c(c3)-c5c(c(nn5c6ccc(cc6)F)C(=O)N)CC4
【MOL File】
8-(5-CHLORO-2-(4-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8-(5-CHLORO-2-(4-METHYLPIPERAZIN-1-YL)ISONICOTINAMIDO)-1-(4-FLUOROPHENYL)-4,5-DIHYDRO-1H-BENZO[G]INDAZOLE-3-CARBOXAMIDE.cml