tert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate

C158H200N24O43S8 — CID 158496318

IUPACtert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2cc(Oc3ccc(S(=O)(=O)C4CC4)cc3)ncn2)CC1.CC(C)OC(=O)N1CCC(Oc2cc(Oc3ccc(S(=O)(=O)C4CC4)nc3)ncn2)CC1.COc1c(Oc2ccc(S(=O)(=O)C3CC3)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2)ncnc1OC1CCN(C(=O)OC(C)C)CC1.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2)ncnc1OC1CCN(S(=O)(=O)C2CC2)CC1.Cc1nc(S(=O)(=O)C2CC2)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C
InChIInChI=1S/C24H31N3O6S.C23H30N4O7S.C23H30N4O6S.C23H29N3O6S.C22H27N3O6S2.C22H27N3O6S.C21H26N4O6S/c1-16-21(31-17-5-7-19(8-6-17)34(29,30)20-9-10-20)25-15-26-22(16)32-18-11-13-27(14-12-18)23(28)33-24(2,3)4;1-14(2)32-23(28)27-11-9-16(10-12-27)33-21-20(31-4)22(25-13-24-21)34-18-7-8-19(26-15(18)3)35(29,30)17-5-6-17;1-14(2)31-23(28)27-11-9-17(10-12-27)32-21-15(3)22(25-13-24-21)33-19-7-8-20(26-16(19)4)34(29,30)18-5-6-18;1-15(2)30-23(27)26-12-10-18(11-13-26)32-22-16(3)21(24-14-25-22)31-17-4-6-19(7-5-17)33(28,29)20-8-9-20;1-15-21(30-16-2-4-18(5-3-16)32(26,27)19-6-7-19)23-14-24-22(15)31-17-10-12-25(13-11-17)33(28,29)20-8-9-20;1-15(2)29-22(26)25-11-9-17(10-12-25)31-21-13-20(23-14-24-21)30-16-3-5-18(6-4-16)32(27,28)19-7-8-19;1-14(2)29-21(26)25-9-7-15(8-10-25)30-18-11-19(24-13-23-18)31-16-3-6-20(22-12-16)32(27,28)17-4-5-17/h5-8,15,18,20H,9-14H2,1-4H3;7-8,13-14,16-17H,5-6,9-12H2,1-4H3;7-8,13-14,17-18H,5-6,9-12H2,1-4H3;4-7,14-15,18,20H,8-13H2,1-3H3;2-5,14,17,19-20H,6-13H2,1H3;3-6,13-15,17,19H,7-12H2,1-2H3;3,6,11-15,17H,4-5,7-10H2,1-2H3
InChIKeyHJIJQARMMVQYSF-UHFFFAOYSA-N
MW3380.00 g/mol
LogP24.53
Rot. Bonds50

About tert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 158496318) has the molecular formula C158H200N24O43S8 and a molecular weight of 3380.00 g/mol. Its IUPAC name is tert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID158496318
Molecular FormulaC158H200N24O43S8
Molecular Weight3380.00 g/mol
Exact Mass3377.20
IUPAC Nametert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2cc(Oc3ccc(S(=O)(=O)C4CC4)cc3)ncn2)CC1.CC(C)OC(=O)N1CCC(Oc2cc(Oc3ccc(S(=O)(=O)C4CC4)nc3)ncn2)CC1.COc1c(Oc2ccc(S(=O)(=O)C3CC3)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2)ncnc1OC1CCN(C(=O)OC(C)C)CC1.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2)ncnc1OC1CCN(S(=O)(=O)C2CC2)CC1.Cc1nc(S(=O)(=O)C2CC2)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C
InChIInChI=1S/C24H31N3O6S.C23H30N4O7S.C23H30N4O6S.C23H29N3O6S.C22H27N3O6S2.C22H27N3O6S.C21H26N4O6S/c1-16-21(31-17-5-7-19(8-6-17)34(29,30)20-9-10-20)25-15-26-22(16)32-18-11-13-27(14-12-18)23(28)33-24(2,3)4;1-14(2)32-23(28)27-11-9-16(10-12-27)33-21-20(31-4)22(25-13-24-21)34-18-7-8-19(26-15(18)3)35(29,30)17-5-6-17;1-14(2)31-23(28)27-11-9-17(10-12-27)32-21-15(3)22(25-13-24-21)33-19-7-8-20(26-16(19)4)34(29,30)18-5-6-18;1-15(2)30-23(27)26-12-10-18(11-13-26)32-22-16(3)21(24-14-25-22)31-17-4-6-19(7-5-17)33(28,29)20-8-9-20;1-15-21(30-16-2-4-18(5-3-16)32(26,27)19-6-7-19)23-14-24-22(15)31-17-10-12-25(13-11-17)33(28,29)20-8-9-20;1-15(2)29-22(26)25-11-9-17(10-12-25)31-21-13-20(23-14-24-21)30-16-3-5-18(6-4-16)32(27,28)19-7-8-19;1-14(2)29-21(26)25-9-7-15(8-10-25)30-18-11-19(24-13-23-18)31-16-3-6-20(22-12-16)32(27,28)17-4-5-17/h5-8,15,18,20H,9-14H2,1-4H3;7-8,13-14,16-17H,5-6,9-12H2,1-4H3;7-8,13-14,17-18H,5-6,9-12H2,1-4H3;4-7,14-15,18,20H,8-13H2,1-3H3;2-5,14,17,19-20H,6-13H2,1H3;3-6,13-15,17,19H,7-12H2,1-2H3;3,6,11-15,17H,4-5,7-10H2,1-2H3
InChIKeyHJIJQARMMVQYSF-UHFFFAOYSA-N
XLogP24.53
TPSA811.18 Ų
H-Bond Donors
H-Bond Acceptors60
Rotatable Bonds50
Heavy Atoms233
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003380.00
LogP ≤ 524.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 158496318) is tert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate is CC(C)OC(=O)N1CCC(Oc2cc(Oc3ccc(S(=O)(=O)C4CC4)cc3)ncn2)CC1.CC(C)OC(=O)N1CCC(Oc2cc(Oc3ccc(S(=O)(=O)C4CC4)nc3)ncn2)CC1.COc1c(Oc2ccc(S(=O)(=O)C3CC3)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2)ncnc1OC1CCN(C(=O)OC(C)C)CC1.Cc1c(Oc2ccc(S(=O)(=O)C3CC3)cc2)ncnc1OC1CCN(S(=O)(=O)C2CC2)CC1.Cc1nc(S(=O)(=O)C2CC2)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C.
What is the InChIKey of tert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is HJIJQARMMVQYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S.C23H30N4O7S.C23H30N4O6S.C23H29N3O6S.C22H27N3O6S2.C22H27N3O6S.C21H26N4O6S/c1-16-21(31-17-5-7-19(8-6-17)34(29,30)20-9-10-20)25-15-26-22(16)32-18-11-13-27(14-12-18)23(28)33-24(2,3)4;1-14(2)32-23(28)27-11-9-16(10-12-27)33-21-20(31-4)22(25-13-24-21)34-18-7-8-19(26-15(18)3)35(29,30)17-5-6-17;1-14(2)31-23(28)27-11-9-17(10-12-27)32-21-15(3)22(25-13-24-21)33-19-7-8-20(26-16(19)4)34(29,30)18-5-6-18;1-15(2)30-23(27)26-12-10-18(11-13-26)32-22-16(3)21(24-14-25-22)31-17-4-6-19(7-5-17)33(28,29)20-8-9-20;1-15-21(30-16-2-4-18(5-3-16)32(26,27)19-6-7-19)23-14-24-22(15)31-17-10-12-25(13-11-17)33(28,29)20-8-9-20;1-15(2)29-22(26)25-11-9-17(10-12-25)31-21-13-20(23-14-24-21)30-16-3-5-18(6-4-16)32(27,28)19-7-8-19;1-14(2)29-21(26)25-9-7-15(8-10-25)30-18-11-19(24-13-23-18)31-16-3-6-20(22-12-16)32(27,28)17-4-5-17/h5-8,15,18,20H,9-14H2,1-4H3;7-8,13-14,16-17H,5-6,9-12H2,1-4H3;7-8,13-14,17-18H,5-6,9-12H2,1-4H3;4-7,14-15,18,20H,8-13H2,1-3H3;2-5,14,17,19-20H,6-13H2,1H3;3-6,13-15,17,19H,7-12H2,1-2H3;3,6,11-15,17H,4-5,7-10H2,1-2H3.
What are the key properties of tert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 3380.00 g/mol, XLogP of 24.53, 50 rotatable bonds, 0 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-(4-cyclopropylsulfonylphenoxy)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-(4-cyclopropylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 158496318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).