tert-butyl 4-[2-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]ethoxy]-2,2-dimethylpyrrolidine-1-carboxylate;bis(8-tert-butyl-12,12-dimethyl-2,2-dioxo-15-oxa-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 2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethoxy]pyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid

C102H144F2N20O21S4 — CID 167532390

About tert-butyl 4-[2-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]ethoxy]-2,2-dimethylpyrrolidine-1-carboxylate;bis(8-tert-butyl-12,12-dimethyl-2,2-dioxo-15-oxa-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 2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethoxy]pyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid

tert-butyl 4-[2-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]ethoxy]-2,2-dimethylpyrrolidine-1-carboxylate;bis(8-tert-butyl-12,12-dimethyl-2,2-dioxo-15-oxa-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 2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethoxy]pyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid (PubChem CID 167532390) has the molecular formula C102H144F2N20O21S4 and a molecular weight of 2152.66 g/mol. Its IUPAC name is tert-butyl 4-[2-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]ethoxy]-2,2-dimethylpyrrolidine-1-carboxylate;bis(8-tert-butyl-12,12-dimethyl-2,2-dioxo-15-oxa-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 2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethoxy]pyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]ethoxy]-2,2-dimethylpyrrolidine-1-carboxylate;bis(8-tert-butyl-12,12-dimethyl-2,2-dioxo-15-oxa-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 2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethoxy]pyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid
• PubChem CID: 167532390
• Molecular Formula: C102H144F2N20O21S4
• Molecular Weight: 2152.66 g/mol
• Exact Mass: 2150.97
• IUPAC Name: tert-butyl 4-[2-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]ethoxy]-2,2-dimethylpyrrolidine-1-carboxylate;bis(8-tert-butyl-12,12-dimethyl-2,2-dioxo-15-oxa-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 2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethoxy]pyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CC(OCCNc2cccc(S(=O)(=O)NC(=O)c3ccc(C(C)(C)C)nc3F)n2)CC1(C)C.CC(C)(C)OC(=O)N1CC(OCCNc2cccc(S(N)(=O)=O)n2)CC1(C)C.CC(C)(C)c1ccc(C(=O)O)c(F)n1.CC(C)(C)c1ccc2c(n1)N1CC(CC1(C)C)OCCNc1cccc(n1)S(=O)(=O)NC2=O.CC(C)(C)c1ccc2c(n1)N1CC(CC1(C)C)OCCNc1cccc(n1)S(=O)(=O)NC2=O
• InChI: InChI=1S/C28H40FN5O6S.2C23H31N5O4S.C18H30N4O5S.C10H12FNO2/c1-26(2,3)20-13-12-19(23(29)31-20)24(35)33-41(37,38)22-11-9-10-21(32-22)30-14-15-39-18-16-28(7,8)34(17-18)25(36)40-27(4,5)6;2*1-22(2,3)17-10-9-16-20(25-17)28-14-15(13-23(28,4)5)32-12-11-24-18-7-6-8-19(26-18)33(30,31)27-21(16)29;1-17(2,3)27-16(23)22-12-13(11-18(22,4)5)26-10-9-20-14-7-6-8-15(21-14)28(19,24)25;1-10(2,3)7-5-4-6(9(13)14)8(11)12-7/h9-13,18H,14-17H2,1-8H3,(H,30,32)(H,33,35);2*6-10,15H,11-14H2,1-5H3,(H,24,26)(H,27,29);6-8,13H,9-12H2,1-5H3,(H,20,21)(H2,19,24,25);4-5H,1-3H3,(H,13,14)
• InChIKey: ADMMCLGIERMCFA-UHFFFAOYSA-N
• XLogP: 13.79
• TPSA: 540.90 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 15
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2152.66
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]ethoxy]-2,2-dimethylpyrrolidine-1-carboxylate;bis(8-tert-butyl-12,12-dimethyl-2,2-dioxo-15-oxa-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 2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethoxy]pyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid?

The IUPAC name of tert-butyl 4-[2-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]ethoxy]-2,2-dimethylpyrrolidine-1-carboxylate;bis(8-tert-butyl-12,12-dimethyl-2,2-dioxo-15-oxa-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 2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethoxy]pyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid (CID 167532390) is tert-butyl 4-[2-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]ethoxy]-2,2-dimethylpyrrolidine-1-carboxylate;bis(8-tert-butyl-12,12-dimethyl-2,2-dioxo-15-oxa-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 2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethoxy]pyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid.

What is the SMILES notation for tert-butyl 4-[2-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]ethoxy]-2,2-dimethylpyrrolidine-1-carboxylate;bis(8-tert-butyl-12,12-dimethyl-2,2-dioxo-15-oxa-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 2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethoxy]pyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid?

The canonical SMILES for tert-butyl 4-[2-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]ethoxy]-2,2-dimethylpyrrolidine-1-carboxylate;bis(8-tert-butyl-12,12-dimethyl-2,2-dioxo-15-oxa-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 2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethoxy]pyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid is CC(C)(C)OC(=O)N1CC(OCCNc2cccc(S(=O)(=O)NC(=O)c3ccc(C(C)(C)C)nc3F)n2)CC1(C)C.CC(C)(C)OC(=O)N1CC(OCCNc2cccc(S(N)(=O)=O)n2)CC1(C)C.CC(C)(C)c1ccc(C(=O)O)c(F)n1.CC(C)(C)c1ccc2c(n1)N1CC(CC1(C)C)OCCNc1cccc(n1)S(=O)(=O)NC2=O.CC(C)(C)c1ccc2c(n1)N1CC(CC1(C)C)OCCNc1cccc(n1)S(=O)(=O)NC2=O.

What is the InChIKey of tert-butyl 4-[2-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]ethoxy]-2,2-dimethylpyrrolidine-1-carboxylate;bis(8-tert-butyl-12,12-dimethyl-2,2-dioxo-15-oxa-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 2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethoxy]pyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid?

The InChIKey is ADMMCLGIERMCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40FN5O6S.2C23H31N5O4S.C18H30N4O5S.C10H12FNO2/c1-26(2,3)20-13-12-19(23(29)31-20)24(35)33-41(37,38)22-11-9-10-21(32-22)30-14-15-39-18-16-28(7,8)34(17-18)25(36)40-27(4,5)6;2*1-22(2,3)17-10-9-16-20(25-17)28-14-15(13-23(28,4)5)32-12-11-24-18-7-6-8-19(26-18)33(30,31)27-21(16)29;1-17(2,3)27-16(23)22-12-13(11-18(22,4)5)26-10-9-20-14-7-6-8-15(21-14)28(19,24)25;1-10(2,3)7-5-4-6(9(13)14)8(11)12-7/h9-13,18H,14-17H2,1-8H3,(H,30,32)(H,33,35);2*6-10,15H,11-14H2,1-5H3,(H,24,26)(H,27,29);6-8,13H,9-12H2,1-5H3,(H,20,21)(H2,19,24,25);4-5H,1-3H3,(H,13,14).

What are the key properties of tert-butyl 4-[2-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]ethoxy]-2,2-dimethylpyrrolidine-1-carboxylate;bis(8-tert-butyl-12,12-dimethyl-2,2-dioxo-15-oxa-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 2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethoxy]pyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid?

tert-butyl 4-[2-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]ethoxy]-2,2-dimethylpyrrolidine-1-carboxylate;bis(8-tert-butyl-12,12-dimethyl-2,2-dioxo-15-oxa-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 2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethoxy]pyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid has a molecular weight of 2152.66 g/mol, XLogP of 13.79, 15 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]ethoxy]-2,2-dimethylpyrrolidine-1-carboxylate;bis(8-tert-butyl-12,12-dimethyl-2,2-dioxo-15-oxa-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 2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethoxy]pyrrolidine-1-carboxylate;6-tert-butyl-2-fluoropyridine-3-carboxylic acid is sourced from PubChem (CID 167532390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).