About 7-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine;6-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-7-methyl-2-pyridin-4-yl-1,3-benzothiazole;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
7-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine;6-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-7-methyl-2-pyridin-4-yl-1,3-benzothiazole;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 161063138) has the molecular formula C115H106F10N8O8S2
and a molecular weight of 1982.27 g/mol. Its IUPAC name is 7-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine;6-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-7-methyl-2-pyridin-4-yl-1,3-benzothiazole;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.
Frequently Asked Questions
What is the IUPAC name of 7-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine;6-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-7-methyl-2-pyridin-4-yl-1,3-benzothiazole;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 7-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine;6-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-7-methyl-2-pyridin-4-yl-1,3-benzothiazole;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine (CID 161063138) is 7-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine;6-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-7-methyl-2-pyridin-4-yl-1,3-benzothiazole;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 7-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine;6-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-7-methyl-2-pyridin-4-yl-1,3-benzothiazole;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 7-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine;6-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-7-methyl-2-pyridin-4-yl-1,3-benzothiazole;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is C[C@H]1[C@@H]2Cc3cc(OCc4cc(-c5cnc(NCC6CCOCC6)cc5C(F)(F)F)ccc4F)ccc3[C@H]12.C[C@H]1[C@@H]2Cc3cc(OCc4cc(-c5cnc(OCCCS(C)(=O)=O)c(C(F)(F)F)c5)ccc4F)ccc3[C@H]12.Cc1c(-c2ccc(F)c(COc3ccc4c(c3)C[C@H]3[C@H](C)[C@@H]43)c2)ccc2nc(-c3ccncc3)sc12.Cc1cc(-c2ccc(F)c(COc3ccc4c(c3)C[C@H]3[C@H](C)[C@@H]43)c2)c2c(cnn2C)n1.
What is the InChIKey of 7-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine;6-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-7-methyl-2-pyridin-4-yl-1,3-benzothiazole;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is UDQUMJNLKCEVKA-LVQOQVQASA-N. The full InChI is InChI=1S/C31H25FN2OS.C30H30F4N2O2.C28H27F4NO4S.C26H24FN3O/c1-17-26-15-21-14-23(4-5-25(21)29(17)26)35-16-22-13-20(3-7-27(22)32)24-6-8-28-30(18(24)2)36-31(34-28)19-9-11-33-12-10-19;1-17-24-12-20-11-22(3-4-23(20)29(17)24)38-16-21-10-19(2-5-27(21)31)25-15-36-28(13-26(25)30(32,33)34)35-14-18-6-8-37-9-7-18;1-16-23-12-18-11-21(5-6-22(18)26(16)23)37-15-20-10-17(4-7-25(20)29)19-13-24(28(30,31)32)27(33-14-19)36-8-3-9-38(2,34)35;1-14-8-22(26-24(29-14)12-28-30(26)3)16-4-7-23(27)18(9-16)13-31-19-5-6-20-17(10-19)11-21-15(2)25(20)21/h3-14,17,26,29H,15-16H2,1-2H3;2-5,10-11,13,15,17-18,24,29H,6-9,12,14,16H2,1H3,(H,35,36);4-7,10-11,13-14,16,23,26H,3,8-9,12,15H2,1-2H3;4-10,12,15,21,25H,11,13H2,1-3H3/t17-,26-,29-;17-,24-,29-;16-,23-,26-;15-,21-,25-/m0000/s1.
What are the key properties of 7-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine;6-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-7-methyl-2-pyridin-4-yl-1,3-benzothiazole;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine?
7-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine;6-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-7-methyl-2-pyridin-4-yl-1,3-benzothiazole;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1982.27 g/mol, XLogP of 26.96, 25 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1,5-dimethylpyrazolo[4,3-b]pyridine;6-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-7-methyl-2-pyridin-4-yl-1,3-benzothiazole;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 161063138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).