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

C90H119N19O21S5 — CID 158906019

IUPACtert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-amine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Oc2ccc(S(=O)(=O)C3CC3)nc2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1.Cc1nc(S(=O)(=O)C2CC2)ccc1Nc1cc(OC2CCN(C(=O)OC(C)C)CC2)ncn1.Cc1nc(S(=O)(=O)C2CC2)ccc1Nc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C.Cc1nc(S(=O)(=O)C2CC2)ccc1Nc1ncnc(OC2CCN(S(=O)(=O)C3CC3)CC2)c1C
InChIInChI=1S/C23H31N5O5S.C23H30N4O6S.C22H29N5O5S2.C22H29N5O5S/c1-14(2)32-23(29)28-11-9-17(10-12-28)33-22-15(3)21(24-13-25-22)27-19-7-8-20(26-16(19)4)34(30,31)18-5-6-18;1-15-20(31-16-9-11-27(12-10-16)22(28)33-23(2,3)4)25-14-26-21(15)32-17-5-8-19(24-13-17)34(29,30)18-6-7-18;1-14-21(26-19-7-8-20(25-15(19)2)33(28,29)17-3-4-17)23-13-24-22(14)32-16-9-11-27(12-10-16)34(30,31)18-5-6-18;1-14(2)31-22(28)27-10-8-16(9-11-27)32-20-12-19(23-13-24-20)26-18-6-7-21(25-15(18)3)33(29,30)17-4-5-17/h7-8,13-14,17-18H,5-6,9-12H2,1-4H3,(H,24,25,27);5,8,13-14,16,18H,6-7,9-12H2,1-4H3;7-8,13,16-18H,3-6,9-12H2,1-2H3,(H,23,24,26);6-7,12-14,16-17H,4-5,8-11H2,1-3H3,(H,23,24,26)
InChIKeyJGBBFFASGKPPCE-UHFFFAOYSA-N
MW1963.39 g/mol
LogP12.99
Rot. Bonds28

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

tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-amine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 158906019) has the molecular formula C90H119N19O21S5 and a molecular weight of 1963.39 g/mol. Its IUPAC name is tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-amine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-amine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID158906019
Molecular FormulaC90H119N19O21S5
Molecular Weight1963.39 g/mol
Exact Mass1961.74
IUPAC Nametert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-amine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Oc2ccc(S(=O)(=O)C3CC3)nc2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1.Cc1nc(S(=O)(=O)C2CC2)ccc1Nc1cc(OC2CCN(C(=O)OC(C)C)CC2)ncn1.Cc1nc(S(=O)(=O)C2CC2)ccc1Nc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C.Cc1nc(S(=O)(=O)C2CC2)ccc1Nc1ncnc(OC2CCN(S(=O)(=O)C3CC3)CC2)c1C
InChIInChI=1S/C23H31N5O5S.C23H30N4O6S.C22H29N5O5S2.C22H29N5O5S/c1-14(2)32-23(29)28-11-9-17(10-12-28)33-22-15(3)21(24-13-25-22)27-19-7-8-20(26-16(19)4)34(30,31)18-5-6-18;1-15-20(31-16-9-11-27(12-10-16)22(28)33-23(2,3)4)25-14-26-21(15)32-17-5-8-19(24-13-17)34(29,30)18-6-7-18;1-14-21(26-19-7-8-20(25-15(19)2)33(28,29)17-3-4-17)23-13-24-22(14)32-16-9-11-27(12-10-16)34(30,31)18-5-6-18;1-14(2)31-22(28)27-10-8-16(9-11-27)32-20-12-19(23-13-24-20)26-18-6-7-21(25-15(18)3)33(29,30)17-4-5-17/h7-8,13-14,17-18H,5-6,9-12H2,1-4H3,(H,24,25,27);5,8,13-14,16,18H,6-7,9-12H2,1-4H3;7-8,13,16-18H,3-6,9-12H2,1-2H3,(H,23,24,26);6-7,12-14,16-17H,4-5,8-11H2,1-3H3,(H,23,24,26)
InChIKeyJGBBFFASGKPPCE-UHFFFAOYSA-N
XLogP12.99
TPSA499.48 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001963.39
LogP ≤ 512.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-amine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-amine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 158906019) is tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-amine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-amine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-amine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1c(Oc2ccc(S(=O)(=O)C3CC3)nc2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1.Cc1nc(S(=O)(=O)C2CC2)ccc1Nc1cc(OC2CCN(C(=O)OC(C)C)CC2)ncn1.Cc1nc(S(=O)(=O)C2CC2)ccc1Nc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C.Cc1nc(S(=O)(=O)C2CC2)ccc1Nc1ncnc(OC2CCN(S(=O)(=O)C3CC3)CC2)c1C.
What is the InChIKey of tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-amine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is JGBBFFASGKPPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O5S.C23H30N4O6S.C22H29N5O5S2.C22H29N5O5S/c1-14(2)32-23(29)28-11-9-17(10-12-28)33-22-15(3)21(24-13-25-22)27-19-7-8-20(26-16(19)4)34(30,31)18-5-6-18;1-15-20(31-16-9-11-27(12-10-16)22(28)33-23(2,3)4)25-14-26-21(15)32-17-5-8-19(24-13-17)34(29,30)18-6-7-18;1-14-21(26-19-7-8-20(25-15(19)2)33(28,29)17-3-4-17)23-13-24-22(14)32-16-9-11-27(12-10-16)34(30,31)18-5-6-18;1-14(2)31-22(28)27-10-8-16(9-11-27)32-20-12-19(23-13-24-20)26-18-6-7-21(25-15(18)3)33(29,30)17-4-5-17/h7-8,13-14,17-18H,5-6,9-12H2,1-4H3,(H,24,25,27);5,8,13-14,16,18H,6-7,9-12H2,1-4H3;7-8,13,16-18H,3-6,9-12H2,1-2H3,(H,23,24,26);6-7,12-14,16-17H,4-5,8-11H2,1-3H3,(H,23,24,26).
What are the key properties of tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-amine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-amine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 1963.39 g/mol, XLogP of 12.99, 28 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;N-(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methylpyrimidin-4-amine;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 158906019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).