tert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate

C113H176N20O32S7 — CID 158078856

IUPACtert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESC.COc1c(OC2CC3CCC(C2)N3S(=O)(=O)C2CC2)ncnc1OC1CC2CCC(C1)N2S(=O)(=O)C1CC1.Cc1c(OC2CCN(C(=O)OC(C)C)CC2)ncnc1OC1CCN(S(C)(=O)=O)CC1.Cc1c(OC2CCN(S(C)(=O)=O)CC2)ncnc1OC1CC2CCC(C1)N2C(=O)OC(C)(C)C.Cc1c(OC2CCN(S(C)(=O)=O)CC2)ncnc1OC1CC2COCC(C1)N2C(=O)OC(C)(C)C.Cc1c(OC2CCN(S(C)(=O)=O)CC2)ncnc1OC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1
InChIInChI=1S/C25H36N4O7S2.C23H36N4O7S.C23H36N4O6S.C21H32N4O6S2.C20H32N4O6S.CH4/c1-34-23-24(35-19-10-15-2-3-16(11-19)28(15)37(30,31)21-6-7-21)26-14-27-25(23)36-20-12-17-4-5-18(13-20)29(17)38(32,33)22-8-9-22;1-15-20(32-18-6-8-26(9-7-18)35(5,29)30)24-14-25-21(15)33-19-10-16-12-31-13-17(11-19)27(16)22(28)34-23(2,3)4;1-15-20(31-18-8-10-26(11-9-18)34(5,29)30)24-14-25-21(15)32-19-12-16-6-7-17(13-19)27(16)22(28)33-23(2,3)4;1-14-20(30-17-7-9-24(10-8-17)32(2,26)27)22-13-23-21(14)31-18-11-15-3-4-16(12-18)25(15)33(28,29)19-5-6-19;1-14(2)28-20(25)23-9-5-16(6-10-23)29-18-15(3)19(22-13-21-18)30-17-7-11-24(12-8-17)31(4,26)27;/h14-22H,2-13H2,1H3;14,16-19H,6-13H2,1-5H3;14,16-19H,6-13H2,1-5H3;13,15-19H,3-12H2,1-2H3;13-14,16-17H,5-12H2,1-4H3;1H4/t;;;15-,16+,18?;;
InChIKeyFMRYEVSZYCIDQS-KDNNCCOWSA-N
MW2551.23 g/mol
LogP11.31
Rot. Bonds32

About tert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate

tert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 158078856) has the molecular formula C113H176N20O32S7 and a molecular weight of 2551.23 g/mol. Its IUPAC name is tert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID158078856
Molecular FormulaC113H176N20O32S7
Molecular Weight2551.23 g/mol
Exact Mass2549.08
IUPAC Nametert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESC.COc1c(OC2CC3CCC(C2)N3S(=O)(=O)C2CC2)ncnc1OC1CC2CCC(C1)N2S(=O)(=O)C1CC1.Cc1c(OC2CCN(C(=O)OC(C)C)CC2)ncnc1OC1CCN(S(C)(=O)=O)CC1.Cc1c(OC2CCN(S(C)(=O)=O)CC2)ncnc1OC1CC2CCC(C1)N2C(=O)OC(C)(C)C.Cc1c(OC2CCN(S(C)(=O)=O)CC2)ncnc1OC1CC2COCC(C1)N2C(=O)OC(C)(C)C.Cc1c(OC2CCN(S(C)(=O)=O)CC2)ncnc1OC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1
InChIInChI=1S/C25H36N4O7S2.C23H36N4O7S.C23H36N4O6S.C21H32N4O6S2.C20H32N4O6S.CH4/c1-34-23-24(35-19-10-15-2-3-16(11-19)28(15)37(30,31)21-6-7-21)26-14-27-25(23)36-20-12-17-4-5-18(13-20)29(17)38(32,33)22-8-9-22;1-15-20(32-18-6-8-26(9-7-18)35(5,29)30)24-14-25-21(15)33-19-10-16-12-31-13-17(11-19)27(16)22(28)34-23(2,3)4;1-15-20(31-18-8-10-26(11-9-18)34(5,29)30)24-14-25-21(15)32-19-12-16-6-7-17(13-19)27(16)22(28)33-23(2,3)4;1-14-20(30-17-7-9-24(10-8-17)32(2,26)27)22-13-23-21(14)31-18-11-15-3-4-16(12-18)25(15)33(28,29)19-5-6-19;1-14(2)28-20(25)23-9-5-16(6-10-23)29-18-15(3)19(22-13-21-18)30-17-7-11-24(12-8-17)31(4,26)27;/h14-22H,2-13H2,1H3;14,16-19H,6-13H2,1-5H3;14,16-19H,6-13H2,1-5H3;13,15-19H,3-12H2,1-2H3;13-14,16-17H,5-12H2,1-4H3;1H4/t;;;15-,16+,18?;;
InChIKeyFMRYEVSZYCIDQS-KDNNCCOWSA-N
XLogP11.31
TPSA589.94 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds32
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002551.23
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 158078856) is tert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate is C.COc1c(OC2CC3CCC(C2)N3S(=O)(=O)C2CC2)ncnc1OC1CC2CCC(C1)N2S(=O)(=O)C1CC1.Cc1c(OC2CCN(C(=O)OC(C)C)CC2)ncnc1OC1CCN(S(C)(=O)=O)CC1.Cc1c(OC2CCN(S(C)(=O)=O)CC2)ncnc1OC1CC2CCC(C1)N2C(=O)OC(C)(C)C.Cc1c(OC2CCN(S(C)(=O)=O)CC2)ncnc1OC1CC2COCC(C1)N2C(=O)OC(C)(C)C.Cc1c(OC2CCN(S(C)(=O)=O)CC2)ncnc1OC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)C1CC1.
What is the InChIKey of tert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is FMRYEVSZYCIDQS-KDNNCCOWSA-N. The full InChI is InChI=1S/C25H36N4O7S2.C23H36N4O7S.C23H36N4O6S.C21H32N4O6S2.C20H32N4O6S.CH4/c1-34-23-24(35-19-10-15-2-3-16(11-19)28(15)37(30,31)21-6-7-21)26-14-27-25(23)36-20-12-17-4-5-18(13-20)29(17)38(32,33)22-8-9-22;1-15-20(32-18-6-8-26(9-7-18)35(5,29)30)24-14-25-21(15)33-19-10-16-12-31-13-17(11-19)27(16)22(28)34-23(2,3)4;1-15-20(31-18-8-10-26(11-9-18)34(5,29)30)24-14-25-21(15)32-19-12-16-6-7-17(13-19)27(16)22(28)33-23(2,3)4;1-14-20(30-17-7-9-24(10-8-17)32(2,26)27)22-13-23-21(14)31-18-11-15-3-4-16(12-18)25(15)33(28,29)19-5-6-19;1-14(2)28-20(25)23-9-5-16(6-10-23)29-18-15(3)19(22-13-21-18)30-17-7-11-24(12-8-17)31(4,26)27;/h14-22H,2-13H2,1H3;14,16-19H,6-13H2,1-5H3;14,16-19H,6-13H2,1-5H3;13,15-19H,3-12H2,1-2H3;13-14,16-17H,5-12H2,1-4H3;1H4/t;;;15-,16+,18?;;.
What are the key properties of tert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate?
tert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 2551.23 g/mol, XLogP of 11.31, 32 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 7-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate;8-cyclopropylsulfonyl-3-[6-[(8-cyclopropylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-5-methoxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane;methane;propan-2-yl 4-[5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 158078856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).