About 3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;3-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-4,7,7-trimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one
3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;3-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-4,7,7-trimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one (PubChem CID 158800764) has the molecular formula C150H173F7N12O9
and a molecular weight of 2421.09 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;3-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-4,7,7-trimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one.
Frequently Asked Questions
What is the IUPAC name of 3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;3-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-4,7,7-trimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
The IUPAC name of 3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;3-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-4,7,7-trimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one (CID 158800764) is 3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;3-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-4,7,7-trimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;3-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-4,7,7-trimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;3-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-4,7,7-trimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one is CC(C)(C)Cc1n[nH]c2c1C(C)(c1ccc(F)cc1)C1=C(C2)CC(C)(C)CC1=O.CC(C)(C)Cc1n[nH]c2c1C(C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC(C)(C)Cc1n[nH]c2c1[C@@](C)(c1ccccc1)C1=C(C2)CC(C)(C)CC1=O.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC(F)(F)C4)c3C23CCOc2ccccc23)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC(F)(F)C4)c3[C@@]23CCOc2ccccc23)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC(F)(F)C4)c3[C@]23CCOc2ccccc23)C1.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;3-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-4,7,7-trimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
The InChIKey is ITLLZECFXYFAPL-SXFSQHIWSA-N. The full InChI is InChI=1S/3C25H26F2N2O2.C25H31FN2O.2C25H32N2O/c3*1-23(2)10-14-9-17-21(22(29-28-17)15-11-24(26,27)12-15)25(20(14)18(30)13-23)7-8-31-19-6-4-3-5-16(19)25;1-23(2,3)13-19-22-18(27-28-19)11-15-12-24(4,5)14-20(29)21(15)25(22,6)16-7-9-17(26)10-8-16;2*1-23(2,3)14-19-22-18(26-27-19)12-16-13-24(4,5)15-20(28)21(16)25(22,6)17-10-8-7-9-11-17/h3*3-6,15H,7-13H2,1-2H3,(H,28,29);7-10H,11-14H2,1-6H3,(H,27,28);2*7-11H,12-15H2,1-6H3,(H,26,27)/t2*25-;;;25-;/m10..0./s1.
What are the key properties of 3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;3-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-4,7,7-trimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one?
3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;3-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-4,7,7-trimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one has a molecular weight of 2421.09 g/mol, XLogP of 32.48, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,4'-2,3-dihydrochromene]-5-one;3-(2,2-dimethylpropyl)-4-(4-fluorophenyl)-4,7,7-trimethyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-1,6,8,9-tetrahydrobenzo[f]indazol-5-one is sourced from PubChem (CID 158800764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).