6-bromo-2-chloro-N-[[6-[[3-[(3R)-5,5-dimethylpyrrolidin-3-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]propyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-bromo-2-chloropyridine-3-carboxylic acid;(14S,17R)-8-bromo-12,12-dimethyl-2,2-dioxo-17-[6-(trifluoromethyl)-2-pyridinyl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;tert-butyl (4S)-4-[3-[[6-[(6-bromo-2-chloropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]pyrrolidine-1-carboxylate

C114H125Br4Cl3F12N24O17S4 — CID 167652523

About 6-bromo-2-chloro-N-[[6-[[3-[(3R)-5,5-dimethylpyrrolidin-3-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]propyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-bromo-2-chloropyridine-3-carboxylic acid;(14S,17R)-8-bromo-12,12-dimethyl-2,2-dioxo-17-[6-(trifluoromethyl)-2-pyridinyl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;tert-butyl (4S)-4-[3-[[6-[(6-bromo-2-chloropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]pyrrolidine-1-carboxylate

6-bromo-2-chloro-N-[[6-[[3-[(3R)-5,5-dimethylpyrrolidin-3-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]propyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-bromo-2-chloropyridine-3-carboxylic acid;(14S,17R)-8-bromo-12,12-dimethyl-2,2-dioxo-17-[6-(trifluoromethyl)-2-pyridinyl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;tert-butyl (4S)-4-[3-[[6-[(6-bromo-2-chloropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]pyrrolidine-1-carboxylate (PubChem CID 167652523) has the molecular formula C114H125Br4Cl3F12N24O17S4 and a molecular weight of 2885.62 g/mol. Its IUPAC name is 6-bromo-2-chloro-N-[[6-[[3-[(3R)-5,5-dimethylpyrrolidin-3-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]propyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-bromo-2-chloropyridine-3-carboxylic acid;(14S,17R)-8-bromo-12,12-dimethyl-2,2-dioxo-17-[6-(trifluoromethyl)-2-pyridinyl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;tert-butyl (4S)-4-[3-[[6-[(6-bromo-2-chloropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: 6-bromo-2-chloro-N-[[6-[[3-[(3R)-5,5-dimethylpyrrolidin-3-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]propyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-bromo-2-chloropyridine-3-carboxylic acid;(14S,17R)-8-bromo-12,12-dimethyl-2,2-dioxo-17-[6-(trifluoromethyl)-2-pyridinyl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;tert-butyl (4S)-4-[3-[[6-[(6-bromo-2-chloropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]pyrrolidine-1-carboxylate
• PubChem CID: 167652523
• Molecular Formula: C114H125Br4Cl3F12N24O17S4
• Molecular Weight: 2885.62 g/mol
• Exact Mass: 2878.41
• IUPAC Name: 6-bromo-2-chloro-N-[[6-[[3-[(3R)-5,5-dimethylpyrrolidin-3-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]propyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-bromo-2-chloropyridine-3-carboxylic acid;(14S,17R)-8-bromo-12,12-dimethyl-2,2-dioxo-17-[6-(trifluoromethyl)-2-pyridinyl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;tert-butyl (4S)-4-[3-[[6-[(6-bromo-2-chloropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]pyrrolidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1C[C@@H](CCC(Nc2cccc(S(=O)(=O)NC(=O)c3ccc(Br)nc3Cl)n2)c2cccc(C(F)(F)F)n2)CC1(C)C.CC(C)(C)OC(=O)N1C[C@@H](CCC(Nc2cccc(S(N)(=O)=O)n2)c2cccc(C(F)(F)F)n2)CC1(C)C.CC1(C)C[C@@H](CCC(Nc2cccc(S(=O)(=O)NC(=O)c3ccc(Br)nc3Cl)n2)c2cccc(C(F)(F)F)n2)CN1.CC1(C)C[C@@H]2CC[C@H](c3cccc(C(F)(F)F)n3)Nc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(Br)nc3N1C2.O=C(O)c1ccc(Br)nc1Cl
• InChI: InChI=1S/C31H35BrClF3N6O5S.C26H27BrClF3N6O3S.C26H26BrF3N6O3S.C25H34F3N5O4S.C6H3BrClNO2/c1-29(2,3)47-28(44)42-17-18(16-30(42,4)5)12-14-21(20-8-6-9-22(37-20)31(34,35)36)38-24-10-7-11-25(40-24)48(45,46)41-27(43)19-13-15-23(32)39-26(19)33;1-25(2)13-15(14-32-25)9-11-18(17-5-3-6-19(33-17)26(29,30)31)34-21-7-4-8-22(36-21)41(39,40)37-24(38)16-10-12-20(27)35-23(16)28;1-25(2)13-15-9-11-18(17-5-3-6-19(31-17)26(28,29)30)32-21-7-4-8-22(34-21)40(38,39)35-24(37)16-10-12-20(27)33-23(16)36(25)14-15;1-23(2,3)37-22(34)33-15-16(14-24(33,4)5)12-13-18(17-8-6-9-19(30-17)25(26,27)28)31-20-10-7-11-21(32-20)38(29,35)36;7-4-2-1-3(6(10)11)5(8)9-4/h6-11,13,15,18,21H,12,14,16-17H2,1-5H3,(H,38,40)(H,41,43);3-8,10,12,15,18,32H,9,11,13-14H2,1-2H3,(H,34,36)(H,37,38);3-8,10,12,15,18H,9,11,13-14H2,1-2H3,(H,32,34)(H,35,37);6-11,16,18H,12-15H2,1-5H3,(H,31,32)(H2,29,35,36);1-2H,(H,10,11)/t18-,21?;15-,18?;15-,18+;16-,18?;/m0100./s1
• InChIKey: QTXXNDKSXXWDMN-QUCGAJGMSA-N
• XLogP: 25.77
• TPSA: 564.33 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2885.62
LogP ≤ 5	25.77
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-N-[[6-[[3-[(3R)-5,5-dimethylpyrrolidin-3-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]propyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-bromo-2-chloropyridine-3-carboxylic acid;(14S,17R)-8-bromo-12,12-dimethyl-2,2-dioxo-17-[6-(trifluoromethyl)-2-pyridinyl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;tert-butyl (4S)-4-[3-[[6-[(6-bromo-2-chloropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]pyrrolidine-1-carboxylate?

The IUPAC name of 6-bromo-2-chloro-N-[[6-[[3-[(3R)-5,5-dimethylpyrrolidin-3-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]propyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-bromo-2-chloropyridine-3-carboxylic acid;(14S,17R)-8-bromo-12,12-dimethyl-2,2-dioxo-17-[6-(trifluoromethyl)-2-pyridinyl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;tert-butyl (4S)-4-[3-[[6-[(6-bromo-2-chloropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]pyrrolidine-1-carboxylate (CID 167652523) is 6-bromo-2-chloro-N-[[6-[[3-[(3R)-5,5-dimethylpyrrolidin-3-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]propyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-bromo-2-chloropyridine-3-carboxylic acid;(14S,17R)-8-bromo-12,12-dimethyl-2,2-dioxo-17-[6-(trifluoromethyl)-2-pyridinyl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;tert-butyl (4S)-4-[3-[[6-[(6-bromo-2-chloropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]pyrrolidine-1-carboxylate.

What is the SMILES notation for 6-bromo-2-chloro-N-[[6-[[3-[(3R)-5,5-dimethylpyrrolidin-3-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]propyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-bromo-2-chloropyridine-3-carboxylic acid;(14S,17R)-8-bromo-12,12-dimethyl-2,2-dioxo-17-[6-(trifluoromethyl)-2-pyridinyl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;tert-butyl (4S)-4-[3-[[6-[(6-bromo-2-chloropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]pyrrolidine-1-carboxylate?

The canonical SMILES for 6-bromo-2-chloro-N-[[6-[[3-[(3R)-5,5-dimethylpyrrolidin-3-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]propyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-bromo-2-chloropyridine-3-carboxylic acid;(14S,17R)-8-bromo-12,12-dimethyl-2,2-dioxo-17-[6-(trifluoromethyl)-2-pyridinyl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;tert-butyl (4S)-4-[3-[[6-[(6-bromo-2-chloropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](CCC(Nc2cccc(S(=O)(=O)NC(=O)c3ccc(Br)nc3Cl)n2)c2cccc(C(F)(F)F)n2)CC1(C)C.CC(C)(C)OC(=O)N1C[C@@H](CCC(Nc2cccc(S(N)(=O)=O)n2)c2cccc(C(F)(F)F)n2)CC1(C)C.CC1(C)C[C@@H](CCC(Nc2cccc(S(=O)(=O)NC(=O)c3ccc(Br)nc3Cl)n2)c2cccc(C(F)(F)F)n2)CN1.CC1(C)C[C@@H]2CC[C@H](c3cccc(C(F)(F)F)n3)Nc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(Br)nc3N1C2.O=C(O)c1ccc(Br)nc1Cl.

What is the InChIKey of 6-bromo-2-chloro-N-[[6-[[3-[(3R)-5,5-dimethylpyrrolidin-3-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]propyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-bromo-2-chloropyridine-3-carboxylic acid;(14S,17R)-8-bromo-12,12-dimethyl-2,2-dioxo-17-[6-(trifluoromethyl)-2-pyridinyl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;tert-butyl (4S)-4-[3-[[6-[(6-bromo-2-chloropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]pyrrolidine-1-carboxylate?

The InChIKey is QTXXNDKSXXWDMN-QUCGAJGMSA-N. The full InChI is InChI=1S/C31H35BrClF3N6O5S.C26H27BrClF3N6O3S.C26H26BrF3N6O3S.C25H34F3N5O4S.C6H3BrClNO2/c1-29(2,3)47-28(44)42-17-18(16-30(42,4)5)12-14-21(20-8-6-9-22(37-20)31(34,35)36)38-24-10-7-11-25(40-24)48(45,46)41-27(43)19-13-15-23(32)39-26(19)33;1-25(2)13-15(14-32-25)9-11-18(17-5-3-6-19(33-17)26(29,30)31)34-21-7-4-8-22(36-21)41(39,40)37-24(38)16-10-12-20(27)35-23(16)28;1-25(2)13-15-9-11-18(17-5-3-6-19(31-17)26(28,29)30)32-21-7-4-8-22(34-21)40(38,39)35-24(37)16-10-12-20(27)33-23(16)36(25)14-15;1-23(2,3)37-22(34)33-15-16(14-24(33,4)5)12-13-18(17-8-6-9-19(30-17)25(26,27)28)31-20-10-7-11-21(32-20)38(29,35)36;7-4-2-1-3(6(10)11)5(8)9-4/h6-11,13,15,18,21H,12,14,16-17H2,1-5H3,(H,38,40)(H,41,43);3-8,10,12,15,18,32H,9,11,13-14H2,1-2H3,(H,34,36)(H,37,38);3-8,10,12,15,18H,9,11,13-14H2,1-2H3,(H,32,34)(H,35,37);6-11,16,18H,12-15H2,1-5H3,(H,31,32)(H2,29,35,36);1-2H,(H,10,11)/t18-,21?;15-,18?;15-,18+;16-,18?;/m0100./s1.

What are the key properties of 6-bromo-2-chloro-N-[[6-[[3-[(3R)-5,5-dimethylpyrrolidin-3-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]propyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-bromo-2-chloropyridine-3-carboxylic acid;(14S,17R)-8-bromo-12,12-dimethyl-2,2-dioxo-17-[6-(trifluoromethyl)-2-pyridinyl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;tert-butyl (4S)-4-[3-[[6-[(6-bromo-2-chloropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]pyrrolidine-1-carboxylate?

6-bromo-2-chloro-N-[[6-[[3-[(3R)-5,5-dimethylpyrrolidin-3-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]propyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-bromo-2-chloropyridine-3-carboxylic acid;(14S,17R)-8-bromo-12,12-dimethyl-2,2-dioxo-17-[6-(trifluoromethyl)-2-pyridinyl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;tert-butyl (4S)-4-[3-[[6-[(6-bromo-2-chloropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]pyrrolidine-1-carboxylate has a molecular weight of 2885.62 g/mol, XLogP of 25.77, 27 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-chloro-N-[[6-[[3-[(3R)-5,5-dimethylpyrrolidin-3-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]propyl]amino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;6-bromo-2-chloropyridine-3-carboxylic acid;(14S,17R)-8-bromo-12,12-dimethyl-2,2-dioxo-17-[6-(trifluoromethyl)-2-pyridinyl]-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;tert-butyl (4S)-4-[3-[[6-[(6-bromo-2-chloropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 167652523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).