About (3R)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3'-(3,3-difluorocyclobutyl)-7-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one
(3R)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3'-(3,3-difluorocyclobutyl)-7-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one (PubChem CID 157282162) has the molecular formula C148H151F13N12O8
and a molecular weight of 2472.89 g/mol. Its IUPAC name is (3R)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3'-(3,3-difluorocyclobutyl)-7-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one.
Frequently Asked Questions
What is the IUPAC name of (3R)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3'-(3,3-difluorocyclobutyl)-7-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one?
The IUPAC name of (3R)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3'-(3,3-difluorocyclobutyl)-7-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one (CID 157282162) is (3R)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3'-(3,3-difluorocyclobutyl)-7-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one.
What is the SMILES notation for (3R)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3'-(3,3-difluorocyclobutyl)-7-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one?
The canonical SMILES for (3R)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3'-(3,3-difluorocyclobutyl)-7-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one is CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC(F)(F)C4)c3C23CCc2c(F)cccc23)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC(F)(F)C4)c3C23CCc2ccccc23)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC(F)(F)C4)c3[C@@]23CCc2ccccc23)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC(F)(F)C4)c3[C@@]23COc2ccccc23)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC(F)(F)C4)c3[C@]23CCc2ccccc23)C1.CC1(C)CC(=O)C2=C(Cc3[nH]nc(C4CC(F)(F)C4)c3[C@]23COc2ccccc23)C1.
What is the InChIKey of (3R)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3'-(3,3-difluorocyclobutyl)-7-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one?
The InChIKey is AZUFWRPHBPXIEZ-LVAQFZAVSA-N. The full InChI is InChI=1S/C25H25F3N2O.3C25H26F2N2O.2C24H24F2N2O2/c1-23(2)9-13-8-18-21(22(30-29-18)14-10-24(27,28)11-14)25(20(13)19(31)12-23)7-6-15-16(25)4-3-5-17(15)26;3*1-23(2)10-15-9-18-21(22(29-28-18)16-11-24(26,27)12-16)25(20(15)19(30)13-23)8-7-14-5-3-4-6-17(14)25;2*1-22(2)8-13-7-16-20(21(28-27-16)14-9-23(25,26)10-14)24(19(13)17(29)11-22)12-30-18-6-4-3-5-15(18)24/h3-5,14H,6-12H2,1-2H3,(H,29,30);3*3-6,16H,7-13H2,1-2H3,(H,28,29);2*3-6,14H,7-12H2,1-2H3,(H,27,28)/t;2*25-;;2*24-/m.10.10/s1.
What are the key properties of (3R)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3'-(3,3-difluorocyclobutyl)-7-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one?
(3R)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3'-(3,3-difluorocyclobutyl)-7-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one has a molecular weight of 2472.89 g/mol, XLogP of 31.41, 6 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(3S)-3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;3'-(3,3-difluorocyclobutyl)-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one;(4R)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;(4S)-3-(3,3-difluorocyclobutyl)-7,7-dimethylspiro[1,6,8,9-tetrahydrobenzo[f]indazole-4,3'-2H-1-benzofuran]-5-one;3'-(3,3-difluorocyclobutyl)-7-fluoro-7',7'-dimethylspiro[1,2-dihydroindene-3,4'-1,6,8,9-tetrahydrobenzo[f]indazole]-5'-one is sourced from PubChem (CID 157282162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).