3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine

C226H236F8N10O29S7 — CID 157245635

IUPAC3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine
SMILESC[C@H]1[C@@H]2Cc3cc(OCc4cc(-c5cnc6[nH]ccc6c5)ccc4F)ccc3[C@H]12.C[C@H]1[C@@H]2Cc3cc(OCc4cccc(-c5ccc(OCCCS(C)(=O)=O)nc5CO)c4)ccc3[C@H]12.Cc1cc(OCCCS(C)(=O)=O)nc(C)c1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1F.Cc1cc(OCCCS(C)(=O)=O)ncc1-c1ccc(F)c(COc2ccc3c(c2)CC2[C@H](C)[C@@H]32)c1.Cc1cc(OCCCS(C)(=O)=O)ncc1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1F.Cc1ccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)cc1-c1cnc2c(ccn2CCCS(C)(=O)=O)c1.Cc1nc(OC2CCS(=O)(=O)CC2)ccc1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1C.Cc1nc(OCCCS(C)(=O)=O)ccc1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1F
InChIInChI=1S/C30H32N2O3S.C30H33NO4S.C29H31F2NO4S.2C28H29F2NO4S.C28H30FNO4S.C28H31NO5S.C25H21FN2O/c1-19-5-6-21(18-35-25-7-8-26-23(15-25)16-28-20(2)29(26)28)13-27(19)24-14-22-9-11-32(30(22)31-17-24)10-4-12-36(3,33)34;1-18-21(17-34-24-7-8-27-22(15-24)16-28-19(2)30(27)28)5-4-6-25(18)26-9-10-29(31-20(26)3)35-23-11-13-36(32,33)14-12-23;1-16-12-26(35-10-5-11-37(4,33)34)32-18(3)27(16)22-8-9-25(30)24(29(22)31)15-36-20-6-7-21-19(13-20)14-23-17(2)28(21)23;1-16-23-14-18-13-19(5-6-21(18)27(16)23)35-15-24-25(29)9-7-22(28(24)30)20-8-10-26(31-17(20)2)34-11-4-12-36(3,32)33;1-16-11-26(34-9-4-10-36(3,32)33)31-14-23(16)21-7-8-25(29)24(28(21)30)15-35-19-5-6-20-18(12-19)13-22-17(2)27(20)22;1-17-11-27(33-9-4-10-35(3,31)32)30-15-25(17)19-5-8-26(29)21(12-19)16-34-22-6-7-23-20(13-22)14-24-18(2)28(23)24;1-18-25-15-21-14-22(7-8-24(21)28(18)25)34-17-19-5-3-6-20(13-19)23-9-10-27(29-26(23)16-30)33-11-4-12-35(2,31)32;1-14-22-11-17-10-20(3-4-21(17)24(14)22)29-13-19-8-15(2-5-23(19)26)18-9-16-6-7-27-25(16)28-12-18/h5-9,11,13-15,17,20,28-29H,4,10,12,16,18H2,1-3H3;4-10,15,19,23,28,30H,11-14,16-17H2,1-3H3;6-9,12-13,17,23,28H,5,10-11,14-15H2,1-4H3;5-10,13,16,23,27H,4,11-12,14-15H2,1-3H3;5-8,11-12,14,17,22,27H,4,9-10,13,15H2,1-3H3;5-8,11-13,15,18,24,28H,4,9-10,14,16H2,1-3H3;3,5-10,13-14,18,25,28,30H,4,11-12,15-17H2,1-2H3;2-10,12,14,22,24H,11,13H2,1H3,(H,27,28)/t20-,28-,29-;19-,28-,30-;17-,23-,28-;16-,23-,27-;17-,22-,27-;18-,24?,28-;18-,25-,28-;14-,22-,24-/m00000000/s1
InChIKeyAVSNDDSACIOTJA-YHWAOTRTSA-N
MW3932.87 g/mol
LogP44.83
Rot. Bonds64

About 3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine

3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine (PubChem CID 157245635) has the molecular formula C226H236F8N10O29S7 and a molecular weight of 3932.87 g/mol. Its IUPAC name is 3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine.

Molecular Properties

Compound Name3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine
PubChem CID157245635
Molecular FormulaC226H236F8N10O29S7
Molecular Weight3932.87 g/mol
Exact Mass3929.52
IUPAC Name3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine
SMILESC[C@H]1[C@@H]2Cc3cc(OCc4cc(-c5cnc6[nH]ccc6c5)ccc4F)ccc3[C@H]12.C[C@H]1[C@@H]2Cc3cc(OCc4cccc(-c5ccc(OCCCS(C)(=O)=O)nc5CO)c4)ccc3[C@H]12.Cc1cc(OCCCS(C)(=O)=O)nc(C)c1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1F.Cc1cc(OCCCS(C)(=O)=O)ncc1-c1ccc(F)c(COc2ccc3c(c2)CC2[C@H](C)[C@@H]32)c1.Cc1cc(OCCCS(C)(=O)=O)ncc1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1F.Cc1ccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)cc1-c1cnc2c(ccn2CCCS(C)(=O)=O)c1.Cc1nc(OC2CCS(=O)(=O)CC2)ccc1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1C.Cc1nc(OCCCS(C)(=O)=O)ccc1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1F
InChIInChI=1S/C30H32N2O3S.C30H33NO4S.C29H31F2NO4S.2C28H29F2NO4S.C28H30FNO4S.C28H31NO5S.C25H21FN2O/c1-19-5-6-21(18-35-25-7-8-26-23(15-25)16-28-20(2)29(26)28)13-27(19)24-14-22-9-11-32(30(22)31-17-24)10-4-12-36(3,33)34;1-18-21(17-34-24-7-8-27-22(15-24)16-28-19(2)30(27)28)5-4-6-25(18)26-9-10-29(31-20(26)3)35-23-11-13-36(32,33)14-12-23;1-16-12-26(35-10-5-11-37(4,33)34)32-18(3)27(16)22-8-9-25(30)24(29(22)31)15-36-20-6-7-21-19(13-20)14-23-17(2)28(21)23;1-16-23-14-18-13-19(5-6-21(18)27(16)23)35-15-24-25(29)9-7-22(28(24)30)20-8-10-26(31-17(20)2)34-11-4-12-36(3,32)33;1-16-11-26(34-9-4-10-36(3,32)33)31-14-23(16)21-7-8-25(29)24(28(21)30)15-35-19-5-6-20-18(12-19)13-22-17(2)27(20)22;1-17-11-27(33-9-4-10-35(3,31)32)30-15-25(17)19-5-8-26(29)21(12-19)16-34-22-6-7-23-20(13-22)14-24-18(2)28(23)24;1-18-25-15-21-14-22(7-8-24(21)28(18)25)34-17-19-5-3-6-20(13-19)23-9-10-27(29-26(23)16-30)33-11-4-12-35(2,31)32;1-14-22-11-17-10-20(3-4-21(17)24(14)22)29-13-19-8-15(2-5-23(19)26)18-9-16-6-7-27-25(16)28-12-18/h5-9,11,13-15,17,20,28-29H,4,10,12,16,18H2,1-3H3;4-10,15,19,23,28,30H,11-14,16-17H2,1-3H3;6-9,12-13,17,23,28H,5,10-11,14-15H2,1-4H3;5-10,13,16,23,27H,4,11-12,14-15H2,1-3H3;5-8,11-12,14,17,22,27H,4,9-10,13,15H2,1-3H3;5-8,11-13,15,18,24,28H,4,9-10,14,16H2,1-3H3;3,5-10,13-14,18,25,28,30H,4,11-12,15-17H2,1-2H3;2-10,12,14,22,24H,11,13H2,1H3,(H,27,28)/t20-,28-,29-;19-,28-,30-;17-,23-,28-;16-,23-,27-;17-,22-,27-;18-,24?,28-;18-,25-,28-;14-,22-,24-/m00000000/s1
InChIKeyAVSNDDSACIOTJA-YHWAOTRTSA-N
XLogP44.83
TPSA512.27 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds64
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003932.87
LogP ≤ 544.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Analyze 3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine?
The IUPAC name of 3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine (CID 157245635) is 3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine.
What is the SMILES notation for 3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine?
The canonical SMILES for 3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine is C[C@H]1[C@@H]2Cc3cc(OCc4cc(-c5cnc6[nH]ccc6c5)ccc4F)ccc3[C@H]12.C[C@H]1[C@@H]2Cc3cc(OCc4cccc(-c5ccc(OCCCS(C)(=O)=O)nc5CO)c4)ccc3[C@H]12.Cc1cc(OCCCS(C)(=O)=O)nc(C)c1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1F.Cc1cc(OCCCS(C)(=O)=O)ncc1-c1ccc(F)c(COc2ccc3c(c2)CC2[C@H](C)[C@@H]32)c1.Cc1cc(OCCCS(C)(=O)=O)ncc1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1F.Cc1ccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)cc1-c1cnc2c(ccn2CCCS(C)(=O)=O)c1.Cc1nc(OC2CCS(=O)(=O)CC2)ccc1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1C.Cc1nc(OCCCS(C)(=O)=O)ccc1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1F.
What is the InChIKey of 3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine?
The InChIKey is AVSNDDSACIOTJA-YHWAOTRTSA-N. The full InChI is InChI=1S/C30H32N2O3S.C30H33NO4S.C29H31F2NO4S.2C28H29F2NO4S.C28H30FNO4S.C28H31NO5S.C25H21FN2O/c1-19-5-6-21(18-35-25-7-8-26-23(15-25)16-28-20(2)29(26)28)13-27(19)24-14-22-9-11-32(30(22)31-17-24)10-4-12-36(3,33)34;1-18-21(17-34-24-7-8-27-22(15-24)16-28-19(2)30(27)28)5-4-6-25(18)26-9-10-29(31-20(26)3)35-23-11-13-36(32,33)14-12-23;1-16-12-26(35-10-5-11-37(4,33)34)32-18(3)27(16)22-8-9-25(30)24(29(22)31)15-36-20-6-7-21-19(13-20)14-23-17(2)28(21)23;1-16-23-14-18-13-19(5-6-21(18)27(16)23)35-15-24-25(29)9-7-22(28(24)30)20-8-10-26(31-17(20)2)34-11-4-12-36(3,32)33;1-16-11-26(34-9-4-10-36(3,32)33)31-14-23(16)21-7-8-25(29)24(28(21)30)15-35-19-5-6-20-18(12-19)13-22-17(2)27(20)22;1-17-11-27(33-9-4-10-35(3,31)32)30-15-25(17)19-5-8-26(29)21(12-19)16-34-22-6-7-23-20(13-22)14-24-18(2)28(23)24;1-18-25-15-21-14-22(7-8-24(21)28(18)25)34-17-19-5-3-6-20(13-19)23-9-10-27(29-26(23)16-30)33-11-4-12-35(2,31)32;1-14-22-11-17-10-20(3-4-21(17)24(14)22)29-13-19-8-15(2-5-23(19)26)18-9-16-6-7-27-25(16)28-12-18/h5-9,11,13-15,17,20,28-29H,4,10,12,16,18H2,1-3H3;4-10,15,19,23,28,30H,11-14,16-17H2,1-3H3;6-9,12-13,17,23,28H,5,10-11,14-15H2,1-4H3;5-10,13,16,23,27H,4,11-12,14-15H2,1-3H3;5-8,11-12,14,17,22,27H,4,9-10,13,15H2,1-3H3;5-8,11-13,15,18,24,28H,4,9-10,14,16H2,1-3H3;3,5-10,13-14,18,25,28,30H,4,11-12,15-17H2,1-2H3;2-10,12,14,22,24H,11,13H2,1H3,(H,27,28)/t20-,28-,29-;19-,28-,30-;17-,23-,28-;16-,23-,27-;17-,22-,27-;18-,24?,28-;18-,25-,28-;14-,22-,24-/m00000000/s1.
What are the key properties of 3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine?
3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine has a molecular weight of 3932.87 g/mol, XLogP of 44.83, 64 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2,4-difluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;5-[5-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-1-(3-methylsulfonylpropyl)pyrrolo[2,3-b]pyridine;[3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-6-(3-methylsulfonylpropoxy)-2-pyridinyl]methanol;5-[3-[[(1S,1aR)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine is sourced from PubChem (CID 157245635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).