tert-butyl N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane;2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-4-amine;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane

C128H170BClF4N16O22S2 — CID 161189227

About tert-butyl N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane;2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-4-amine;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane

tert-butyl N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane;2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-4-amine;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane (PubChem CID 161189227) has the molecular formula C128H170BClF4N16O22S2 and a molecular weight of 2471.25 g/mol. Its IUPAC name is tert-butyl N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane;2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-4-amine;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane.

Molecular Properties

• Compound Name: tert-butyl N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane;2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-4-amine;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane
• PubChem CID: 161189227
• Molecular Formula: C128H170BClF4N16O22S2
• Molecular Weight: 2471.25 g/mol
• Exact Mass: 2469.18
• IUPAC Name: tert-butyl N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane;2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-4-amine;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane
• SMILES: C.C.C.C.CC.CC1(C)OB(c2cc(F)cc3[nH]ccc23)OC1(C)C.C[C@@H]1COCCN1c1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(-c2cc(F)cc3[nH]ccc23)n1.C[C@@H]1COCCN1c1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(Cl)n1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(N5CCOC[C@H]5C)n4)cc(F)cc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(N)cc(N5CCOC[C@H]5C)n4)cc(F)cc32)cc1
• InChI: InChI=1S/C35H41FN4O7S.C28H35FN4O5.C25H25FN4O3S.C20H30ClN3O5.C14H17BFNO2.C2H6.4CH4/c1-22-9-11-26(12-10-22)48(43,44)39-14-13-27-28(17-24(36)18-30(27)39)29-19-25(20-31(37-29)38-15-16-45-21-23(38)2)40(32(41)46-34(3,4)5)33(42)47-35(6,7)8;1-17-16-36-11-10-32(17)24-15-19(33(25(34)37-27(2,3)4)26(35)38-28(5,6)7)14-23(31-24)21-12-18(29)13-22-20(21)8-9-30-22;1-16-3-5-20(6-4-16)34(31,32)30-8-7-21-22(11-18(26)12-24(21)30)23-13-19(27)14-25(28-23)29-9-10-33-15-17(29)2;1-13-12-27-9-8-23(13)16-11-14(10-15(21)22-16)24(17(25)28-19(2,3)4)18(26)29-20(5,6)7;1-13(2)14(3,4)19-15(18-13)11-7-9(16)8-12-10(11)5-6-17-12;1-2;;;;/h9-14,17-20,23H,15-16,21H2,1-8H3;8-9,12-15,17,30H,10-11,16H2,1-7H3;3-8,11-14,17H,9-10,15H2,1-2H3,(H2,27,28);10-11,13H,8-9,12H2,1-7H3;5-8,17H,1-4H3;1-2H3;4*1H4/t23-;2*17-;13-;;;;;;/m1111....../s1
• InChIKey: UTMJTENBMKFCID-OAZIZHDHSA-N
• XLogP: 28.57
• TPSA: 423.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 15
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2471.25
LogP ≤ 5	28.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane;2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-4-amine;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane?

The IUPAC name of tert-butyl N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane;2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-4-amine;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane (CID 161189227) is tert-butyl N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane;2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-4-amine;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane.

What is the SMILES notation for tert-butyl N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane;2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-4-amine;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane?

The canonical SMILES for tert-butyl N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane;2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-4-amine;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane is C.C.C.C.CC.CC1(C)OB(c2cc(F)cc3[nH]ccc23)OC1(C)C.C[C@@H]1COCCN1c1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(-c2cc(F)cc3[nH]ccc23)n1.C[C@@H]1COCCN1c1cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(Cl)n1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc(N5CCOC[C@H]5C)n4)cc(F)cc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4cc(N)cc(N5CCOC[C@H]5C)n4)cc(F)cc32)cc1.

What is the InChIKey of tert-butyl N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane;2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-4-amine;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane?

The InChIKey is UTMJTENBMKFCID-OAZIZHDHSA-N. The full InChI is InChI=1S/C35H41FN4O7S.C28H35FN4O5.C25H25FN4O3S.C20H30ClN3O5.C14H17BFNO2.C2H6.4CH4/c1-22-9-11-26(12-10-22)48(43,44)39-14-13-27-28(17-24(36)18-30(27)39)29-19-25(20-31(37-29)38-15-16-45-21-23(38)2)40(32(41)46-34(3,4)5)33(42)47-35(6,7)8;1-17-16-36-11-10-32(17)24-15-19(33(25(34)37-27(2,3)4)26(35)38-28(5,6)7)14-23(31-24)21-12-18(29)13-22-20(21)8-9-30-22;1-16-3-5-20(6-4-16)34(31,32)30-8-7-21-22(11-18(26)12-24(21)30)23-13-19(27)14-25(28-23)29-9-10-33-15-17(29)2;1-13-12-27-9-8-23(13)16-11-14(10-15(21)22-16)24(17(25)28-19(2,3)4)18(26)29-20(5,6)7;1-13(2)14(3,4)19-15(18-13)11-7-9(16)8-12-10(11)5-6-17-12;1-2;;;;/h9-14,17-20,23H,15-16,21H2,1-8H3;8-9,12-15,17,30H,10-11,16H2,1-7H3;3-8,11-14,17H,9-10,15H2,1-2H3,(H2,27,28);10-11,13H,8-9,12H2,1-7H3;5-8,17H,1-4H3;1-2H3;4*1H4/t23-;2*17-;13-;;;;;;/m1111....../s1.

What are the key properties of tert-butyl N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane;2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-4-amine;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane?

tert-butyl N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane;2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-4-amine;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane has a molecular weight of 2471.25 g/mol, XLogP of 28.57, 15 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-(6-fluoro-1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]-4-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;ethane;2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyridin-4-amine;6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;methane is sourced from PubChem (CID 161189227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).