About 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;8-propan-2-yl-3,6-dihydrocyclopenta[e]indazole;5-propan-2-yl-3,7-dihydrocyclopenta[f][1,3]benzothiazol-2-one;7-propan-2-yl-1,5-dihydrocyclopenta[f]indazole;8-propan-2-yl-3,6-dihydrocyclopenta[g][1,3]benzothiazol-2-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;2-(1-propan-2-yl-3H-inden-5-yl)propan-2-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide
3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;8-propan-2-yl-3,6-dihydrocyclopenta[e]indazole;5-propan-2-yl-3,7-dihydrocyclopenta[f][1,3]benzothiazol-2-one;7-propan-2-yl-1,5-dihydrocyclopenta[f]indazole;8-propan-2-yl-3,6-dihydrocyclopenta[g][1,3]benzothiazol-2-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;2-(1-propan-2-yl-3H-inden-5-yl)propan-2-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide (PubChem CID 159877379) has the molecular formula C166H199F5N18O9S3
and a molecular weight of 2781.73 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;8-propan-2-yl-3,6-dihydrocyclopenta[e]indazole;5-propan-2-yl-3,7-dihydrocyclopenta[f][1,3]benzothiazol-2-one;7-propan-2-yl-1,5-dihydrocyclopenta[f]indazole;8-propan-2-yl-3,6-dihydrocyclopenta[g][1,3]benzothiazol-2-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;2-(1-propan-2-yl-3H-inden-5-yl)propan-2-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide.
Frequently Asked Questions
What is the IUPAC name of 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;8-propan-2-yl-3,6-dihydrocyclopenta[e]indazole;5-propan-2-yl-3,7-dihydrocyclopenta[f][1,3]benzothiazol-2-one;7-propan-2-yl-1,5-dihydrocyclopenta[f]indazole;8-propan-2-yl-3,6-dihydrocyclopenta[g][1,3]benzothiazol-2-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;2-(1-propan-2-yl-3H-inden-5-yl)propan-2-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide?
The IUPAC name of 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;8-propan-2-yl-3,6-dihydrocyclopenta[e]indazole;5-propan-2-yl-3,7-dihydrocyclopenta[f][1,3]benzothiazol-2-one;7-propan-2-yl-1,5-dihydrocyclopenta[f]indazole;8-propan-2-yl-3,6-dihydrocyclopenta[g][1,3]benzothiazol-2-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;2-(1-propan-2-yl-3H-inden-5-yl)propan-2-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide (CID 159877379) is 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;8-propan-2-yl-3,6-dihydrocyclopenta[e]indazole;5-propan-2-yl-3,7-dihydrocyclopenta[f][1,3]benzothiazol-2-one;7-propan-2-yl-1,5-dihydrocyclopenta[f]indazole;8-propan-2-yl-3,6-dihydrocyclopenta[g][1,3]benzothiazol-2-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;2-(1-propan-2-yl-3H-inden-5-yl)propan-2-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide.
What is the SMILES notation for 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;8-propan-2-yl-3,6-dihydrocyclopenta[e]indazole;5-propan-2-yl-3,7-dihydrocyclopenta[f][1,3]benzothiazol-2-one;7-propan-2-yl-1,5-dihydrocyclopenta[f]indazole;8-propan-2-yl-3,6-dihydrocyclopenta[g][1,3]benzothiazol-2-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;2-(1-propan-2-yl-3H-inden-5-yl)propan-2-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide?
The canonical SMILES for 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;8-propan-2-yl-3,6-dihydrocyclopenta[e]indazole;5-propan-2-yl-3,7-dihydrocyclopenta[f][1,3]benzothiazol-2-one;7-propan-2-yl-1,5-dihydrocyclopenta[f]indazole;8-propan-2-yl-3,6-dihydrocyclopenta[g][1,3]benzothiazol-2-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;2-(1-propan-2-yl-3H-inden-5-yl)propan-2-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide is CC(C)C1=CCc2cc(C(C)(C)O)ccc21.CC(C)C1=CCc2cc3cn[nH]c3cc21.CC(C)C1=CCc2cc3sc(=O)[nH]c3cc21.CC(C)C1=CCc2ccc3[nH]c(=O)sc3c21.CC(C)C1=CCc2ccc3[nH]ncc3c21.CC(C)c1c[nH]c2ccc(=O)[nH]c12.CC(C)c1c[nH]c2ccc(F)cc12.CC(C)c1c[nH]c2ccc(NS(C)(=O)=O)cc12.CC(C)c1c[nH]c2ccc(O)cc12.CC(C)c1c[nH]c2ccccc12.CC(C)n1nc(C(C)(F)F)c2c1CCCC2.CC1CCCc2c(C(C)(F)F)nn(C(C)C)c21.COc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1.
What is the InChIKey of 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;8-propan-2-yl-3,6-dihydrocyclopenta[e]indazole;5-propan-2-yl-3,7-dihydrocyclopenta[f][1,3]benzothiazol-2-one;7-propan-2-yl-1,5-dihydrocyclopenta[f]indazole;8-propan-2-yl-3,6-dihydrocyclopenta[g][1,3]benzothiazol-2-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;2-(1-propan-2-yl-3H-inden-5-yl)propan-2-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide?
The InChIKey is NTBUPAZNAPUMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2.C15H20O.C13H20F2N2.2C13H14N2.2C13H13NOS.C12H18F2N2.C12H16N2O2S.C11H12FN.C11H13NO.C11H13N.C10H12N2O/c1-13(2)16-11-20-17-10-18(21-3)19(9-15(16)17)22-12-14-7-5-4-6-8-14;1-10(2)13-7-5-11-9-12(15(3,4)16)6-8-14(11)13;1-8(2)17-11-9(3)6-5-7-10(11)12(16-17)13(4,14)15;1-8(2)10-5-3-9-4-6-12-11(13(9)10)7-14-15-12;1-8(2)11-4-3-9-5-10-7-14-15-13(10)6-12(9)11;1-7(2)9-5-3-8-4-6-10-12(11(8)9)16-13(15)14-10;1-7(2)9-4-3-8-5-12-11(6-10(8)9)14-13(15)16-12;1-8(2)16-10-7-5-4-6-9(10)11(15-16)12(3,13)14;1-8(2)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)10-6-12-11-4-3-8(13)5-9(10)11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-6(2)7-5-11-8-3-4-9(13)12-10(7)8/h4-11,13,20H,12H2,1-3H3;6-10,16H,5H2,1-4H3;8-9H,5-7H2,1-4H3;2*4-8H,3H2,1-2H3,(H,14,15);2*4-7H,3H2,1-2H3,(H,14,15);8H,4-7H2,1-3H3;4-8,13-14H,1-3H3;3-7,13H,1-2H3;3-7,12-13H,1-2H3;3-8,12H,1-2H3;3-6,11H,1-2H3,(H,12,13).
What are the key properties of 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;8-propan-2-yl-3,6-dihydrocyclopenta[e]indazole;5-propan-2-yl-3,7-dihydrocyclopenta[f][1,3]benzothiazol-2-one;7-propan-2-yl-1,5-dihydrocyclopenta[f]indazole;8-propan-2-yl-3,6-dihydrocyclopenta[g][1,3]benzothiazol-2-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;2-(1-propan-2-yl-3H-inden-5-yl)propan-2-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide?
3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;8-propan-2-yl-3,6-dihydrocyclopenta[e]indazole;5-propan-2-yl-3,7-dihydrocyclopenta[f][1,3]benzothiazol-2-one;7-propan-2-yl-1,5-dihydrocyclopenta[f]indazole;8-propan-2-yl-3,6-dihydrocyclopenta[g][1,3]benzothiazol-2-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;2-(1-propan-2-yl-3H-inden-5-yl)propan-2-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide has a molecular weight of 2781.73 g/mol, XLogP of 42.91, 22 rotatable bonds, 14 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;8-propan-2-yl-3,6-dihydrocyclopenta[e]indazole;5-propan-2-yl-3,7-dihydrocyclopenta[f][1,3]benzothiazol-2-one;7-propan-2-yl-1,5-dihydrocyclopenta[f]indazole;8-propan-2-yl-3,6-dihydrocyclopenta[g][1,3]benzothiazol-2-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;2-(1-propan-2-yl-3H-inden-5-yl)propan-2-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide is sourced from PubChem (CID 159877379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).