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

C232H258F3N9O31S8 — CID 158470396

IUPAC3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2-methyl-6-(4-methylsulfonylpiperidin-1-yl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine
SMILESCc1cc(OCCCS(C)(=O)=O)nc(C)c1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.Cc1cc(OCCCS(C)(=O)=O)nc(C)c1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.Cc1cc(OCCCS(C)(=O)=O)nc(C)c1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1C.Cc1cc(OCCCS(C)(=O)=O)ncc1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.Cc1cc(OCCCS(C)(=O)=O)ncc1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1C.Cc1nc(N2CCC(S(C)(=O)=O)CC2)ccc1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.Cc1nc(OC2CCS(=O)(=O)CC2)ccc1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.Cc1nc(OCCCS(C)(=O)=O)ccc1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1
InChIInChI=1S/C30H34N2O3S.C30H35NO4S.C29H30FNO4S.C29H32FNO4S.2C29H33NO4S.C28H30FNO4S.C28H31NO4S/c1-19-28-17-23-16-24(7-8-27(23)30(19)28)35-18-21-5-4-6-22(15-21)26-9-10-29(31-20(26)2)32-13-11-25(12-14-32)36(3,33)34;1-18-14-28(34-12-7-13-36(5,32)33)31-21(4)29(18)25-9-6-8-22(19(25)2)17-35-24-10-11-26-23(15-24)16-27-20(3)30(26)27;1-17-26-15-20-14-23(4-5-25(20)29(17)26)34-16-21-13-19(3-7-27(21)30)24-6-8-28(31-18(24)2)35-22-9-11-36(32,33)12-10-22;1-17-12-27(34-10-5-11-36(4,32)33)31-19(3)28(17)20-6-9-26(30)22(13-20)16-35-23-7-8-24-21(14-23)15-25-18(2)29(24)25;1-18-13-28(33-11-6-12-35(4,31)32)30-16-27(18)24-8-5-7-21(19(24)2)17-34-23-9-10-25-22(14-23)15-26-20(3)29(25)26;1-18-13-27(33-11-6-12-35(4,31)32)30-20(3)28(18)22-8-5-7-21(14-22)17-34-24-9-10-25-23(15-24)16-26-19(2)29(25)26;1-17-25-15-20-14-22(6-7-24(20)28(17)25)34-16-21-13-19(5-9-26(21)29)23-8-10-27(30-18(23)2)33-11-4-12-35(3,31)32;1-18-12-27(32-10-5-11-34(3,30)31)29-16-26(18)21-7-4-6-20(13-21)17-33-23-8-9-24-22(14-23)15-25-19(2)28(24)25/h4-10,15-16,19,25,28,30H,11-14,17-18H2,1-3H3;6,8-11,14-15,20,27,30H,7,12-13,16-17H2,1-5H3;3-8,13-14,17,22,26,29H,9-12,15-16H2,1-2H3;6-9,12-14,18,25,29H,5,10-11,15-16H2,1-4H3;5,7-10,13-14,16,20,26,29H,6,11-12,15,17H2,1-4H3;5,7-10,13-15,19,26,29H,6,11-12,16-17H2,1-4H3;5-10,13-14,17,25,28H,4,11-12,15-16H2,1-3H3;4,6-9,12-14,16,19,25,28H,5,10-11,15,17H2,1-3H3/t19-,28-,30-;20-,27-,30-;17-,26-,29-;18-,25-,29-;20-,26-,29-;19-,26-,29-;17-,25-,28-;19-,25-,28-/m00000000/s1
InChIKeyHGGVXJOSSGSTQZ-NIEUHKTISA-N
MW3982.18 g/mol
LogP45.14
Rot. Bonds66

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

3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2-methyl-6-(4-methylsulfonylpiperidin-1-yl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine (PubChem CID 158470396) has the molecular formula C232H258F3N9O31S8 and a molecular weight of 3982.18 g/mol. Its IUPAC name is 3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2-methyl-6-(4-methylsulfonylpiperidin-1-yl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-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]-4-fluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2-methyl-6-(4-methylsulfonylpiperidin-1-yl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine
PubChem CID158470396
Molecular FormulaC232H258F3N9O31S8
Molecular Weight3982.18 g/mol
Exact Mass3978.66
IUPAC Name3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2-methyl-6-(4-methylsulfonylpiperidin-1-yl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine
SMILESCc1cc(OCCCS(C)(=O)=O)nc(C)c1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.Cc1cc(OCCCS(C)(=O)=O)nc(C)c1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.Cc1cc(OCCCS(C)(=O)=O)nc(C)c1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1C.Cc1cc(OCCCS(C)(=O)=O)ncc1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.Cc1cc(OCCCS(C)(=O)=O)ncc1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1C.Cc1nc(N2CCC(S(C)(=O)=O)CC2)ccc1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.Cc1nc(OC2CCS(=O)(=O)CC2)ccc1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.Cc1nc(OCCCS(C)(=O)=O)ccc1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1
InChIInChI=1S/C30H34N2O3S.C30H35NO4S.C29H30FNO4S.C29H32FNO4S.2C29H33NO4S.C28H30FNO4S.C28H31NO4S/c1-19-28-17-23-16-24(7-8-27(23)30(19)28)35-18-21-5-4-6-22(15-21)26-9-10-29(31-20(26)2)32-13-11-25(12-14-32)36(3,33)34;1-18-14-28(34-12-7-13-36(5,32)33)31-21(4)29(18)25-9-6-8-22(19(25)2)17-35-24-10-11-26-23(15-24)16-27-20(3)30(26)27;1-17-26-15-20-14-23(4-5-25(20)29(17)26)34-16-21-13-19(3-7-27(21)30)24-6-8-28(31-18(24)2)35-22-9-11-36(32,33)12-10-22;1-17-12-27(34-10-5-11-36(4,32)33)31-19(3)28(17)20-6-9-26(30)22(13-20)16-35-23-7-8-24-21(14-23)15-25-18(2)29(24)25;1-18-13-28(33-11-6-12-35(4,31)32)30-16-27(18)24-8-5-7-21(19(24)2)17-34-23-9-10-25-22(14-23)15-26-20(3)29(25)26;1-18-13-27(33-11-6-12-35(4,31)32)30-20(3)28(18)22-8-5-7-21(14-22)17-34-24-9-10-25-23(15-24)16-26-19(2)29(25)26;1-17-25-15-20-14-22(6-7-24(20)28(17)25)34-16-21-13-19(5-9-26(21)29)23-8-10-27(30-18(23)2)33-11-4-12-35(3,31)32;1-18-12-27(32-10-5-11-34(3,30)31)29-16-26(18)21-7-4-6-20(13-21)17-33-23-8-9-24-22(14-23)15-25-19(2)28(24)25/h4-10,15-16,19,25,28,30H,11-14,17-18H2,1-3H3;6,8-11,14-15,20,27,30H,7,12-13,16-17H2,1-5H3;3-8,13-14,17,22,26,29H,9-12,15-16H2,1-2H3;6-9,12-14,18,25,29H,5,10-11,15-16H2,1-4H3;5,7-10,13-14,16,20,26,29H,6,11-12,15,17H2,1-4H3;5,7-10,13-15,19,26,29H,6,11-12,16-17H2,1-4H3;5-10,13-14,17,25,28H,4,11-12,15-16H2,1-3H3;4,6-9,12-14,16,19,25,28H,5,10-11,15,17H2,1-3H3/t19-,28-,30-;20-,27-,30-;17-,26-,29-;18-,25-,29-;20-,26-,29-;19-,26-,29-;17-,25-,28-;19-,25-,28-/m00000000/s1
InChIKeyHGGVXJOSSGSTQZ-NIEUHKTISA-N
XLogP45.14
TPSA517.93 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds66
Heavy Atoms283
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003982.18
LogP ≤ 545.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

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

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What is the IUPAC name of 3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2-methyl-6-(4-methylsulfonylpiperidin-1-yl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-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]-4-fluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2-methyl-6-(4-methylsulfonylpiperidin-1-yl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine (CID 158470396) is 3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2-methyl-6-(4-methylsulfonylpiperidin-1-yl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-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]-4-fluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2-methyl-6-(4-methylsulfonylpiperidin-1-yl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-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]-4-fluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2-methyl-6-(4-methylsulfonylpiperidin-1-yl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine is Cc1cc(OCCCS(C)(=O)=O)nc(C)c1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.Cc1cc(OCCCS(C)(=O)=O)nc(C)c1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.Cc1cc(OCCCS(C)(=O)=O)nc(C)c1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1C.Cc1cc(OCCCS(C)(=O)=O)ncc1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.Cc1cc(OCCCS(C)(=O)=O)ncc1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1C.Cc1nc(N2CCC(S(C)(=O)=O)CC2)ccc1-c1cccc(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.Cc1nc(OC2CCS(=O)(=O)CC2)ccc1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.Cc1nc(OCCCS(C)(=O)=O)ccc1-c1ccc(F)c(COc2ccc3c(c2)C[C@H]2[C@H](C)[C@@H]32)c1.
What is the InChIKey of 3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2-methyl-6-(4-methylsulfonylpiperidin-1-yl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine?
The InChIKey is HGGVXJOSSGSTQZ-NIEUHKTISA-N. The full InChI is InChI=1S/C30H34N2O3S.C30H35NO4S.C29H30FNO4S.C29H32FNO4S.2C29H33NO4S.C28H30FNO4S.C28H31NO4S/c1-19-28-17-23-16-24(7-8-27(23)30(19)28)35-18-21-5-4-6-22(15-21)26-9-10-29(31-20(26)2)32-13-11-25(12-14-32)36(3,33)34;1-18-14-28(34-12-7-13-36(5,32)33)31-21(4)29(18)25-9-6-8-22(19(25)2)17-35-24-10-11-26-23(15-24)16-27-20(3)30(26)27;1-17-26-15-20-14-23(4-5-25(20)29(17)26)34-16-21-13-19(3-7-27(21)30)24-6-8-28(31-18(24)2)35-22-9-11-36(32,33)12-10-22;1-17-12-27(34-10-5-11-36(4,32)33)31-19(3)28(17)20-6-9-26(30)22(13-20)16-35-23-7-8-24-21(14-23)15-25-18(2)29(24)25;1-18-13-28(33-11-6-12-35(4,31)32)30-16-27(18)24-8-5-7-21(19(24)2)17-34-23-9-10-25-22(14-23)15-26-20(3)29(25)26;1-18-13-27(33-11-6-12-35(4,31)32)30-20(3)28(18)22-8-5-7-21(14-22)17-34-24-9-10-25-23(15-24)16-26-19(2)29(25)26;1-17-25-15-20-14-22(6-7-24(20)28(17)25)34-16-21-13-19(5-9-26(21)29)23-8-10-27(30-18(23)2)33-11-4-12-35(3,31)32;1-18-12-27(32-10-5-11-34(3,30)31)29-16-26(18)21-7-4-6-20(13-21)17-33-23-8-9-24-22(14-23)15-25-19(2)28(24)25/h4-10,15-16,19,25,28,30H,11-14,17-18H2,1-3H3;6,8-11,14-15,20,27,30H,7,12-13,16-17H2,1-5H3;3-8,13-14,17,22,26,29H,9-12,15-16H2,1-2H3;6-9,12-14,18,25,29H,5,10-11,15-16H2,1-4H3;5,7-10,13-14,16,20,26,29H,6,11-12,15,17H2,1-4H3;5,7-10,13-15,19,26,29H,6,11-12,16-17H2,1-4H3;5-10,13-14,17,25,28H,4,11-12,15-16H2,1-3H3;4,6-9,12-14,16,19,25,28H,5,10-11,15,17H2,1-3H3/t19-,28-,30-;20-,27-,30-;17-,26-,29-;18-,25-,29-;20-,26-,29-;19-,26-,29-;17-,25-,28-;19-,25-,28-/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]-4-fluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2-methyl-6-(4-methylsulfonylpiperidin-1-yl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine?
3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2-methyl-6-(4-methylsulfonylpiperidin-1-yl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine has a molecular weight of 3982.18 g/mol, XLogP of 45.14, 66 rotatable bonds, 0 hydrogen bond donors, and 40 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]-4-fluorophenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-2-methyl-6-(3-methylsulfonylpropoxy)pyridine;4-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxy]thiane 1,1-dioxide;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-2-methylphenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2,4-dimethyl-6-(3-methylsulfonylpropoxy)pyridine;3-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-2-methyl-6-(4-methylsulfonylpiperidin-1-yl)pyridine;5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]phenyl]-4-methyl-2-(3-methylsulfonylpropoxy)pyridine is sourced from PubChem (CID 158470396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).