tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole

C109H168Cl4N14O20S — CID 158899143

About tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole

tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole (PubChem CID 158899143) has the molecular formula C109H168Cl4N14O20S and a molecular weight of 2168.50 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole.

Molecular Properties

• Compound Name: tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole
• PubChem CID: 158899143
• Molecular Formula: C109H168Cl4N14O20S
• Molecular Weight: 2168.50 g/mol
• Exact Mass: 2165.10
• IUPAC Name: tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole
• SMILES: CC(C)(C)OC(=O)N1C=CC(=O)C1.CC(C)(C)OC(=O)N1CC(CCCNc2cccc(S(N)(=O)=O)n2)CC1(C)C.CC(C)C(CO)C(C)C.CC(C)C(COC1=NC(c2ccc(C(=O)O)c(Cl)n2)C=C1)C(C)C.CC(C)C(COc1ccn(C(=O)OC(C)(C)C)n1)C(C)C.CC(C)C(COc1ccn[nH]1)C(C)C.CCOC(=O)c1ccc(C2C=CC(OCC(C(C)C)C(C)C)=N2)nc1Cl.CCOC(=O)c1ccc(Cl)nc1Cl
• InChI: InChI=1S/C20H27ClN2O3.C19H32N4O4S.C18H23ClN2O3.C16H28N2O3.C11H20N2O.C9H13NO3.C8H7Cl2NO2.C8H18O/c1-6-25-20(24)14-7-8-17(23-19(14)21)16-9-10-18(22-16)26-11-15(12(2)3)13(4)5;1-18(2,3)27-17(24)23-13-14(12-19(23,4)5)8-7-11-21-15-9-6-10-16(22-15)28(20,25)26;1-10(2)13(11(3)4)9-24-16-8-7-14(20-16)15-6-5-12(18(22)23)17(19)21-15;1-11(2)13(12(3)4)10-20-14-8-9-18(17-14)15(19)21-16(5,6)7;1-8(2)10(9(3)4)7-14-11-5-6-12-13-11;1-9(2,3)13-8(12)10-5-4-7(11)6-10;1-2-13-8(12)5-3-4-6(9)11-7(5)10;1-6(2)8(5-9)7(3)4/h7-10,12-13,15-16H,6,11H2,1-5H3;6,9-10,14H,7-8,11-13H2,1-5H3,(H,21,22)(H2,20,25,26);5-8,10-11,13-14H,9H2,1-4H3,(H,22,23);8-9,11-13H,10H2,1-7H3;5-6,8-10H,7H2,1-4H3,(H,12,13);4-5H,6H2,1-3H3;3-4H,2H2,1H3;6-9H,5H2,1-4H3
• InChIKey: JFFCFTZOKKKKCD-UHFFFAOYSA-N
• XLogP: 24.69
• TPSA: 444.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 34
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2168.50
LogP ≤ 5	24.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole?

The IUPAC name of tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole (CID 158899143) is tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole.

What is the SMILES notation for tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole?

The canonical SMILES for tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole is CC(C)(C)OC(=O)N1C=CC(=O)C1.CC(C)(C)OC(=O)N1CC(CCCNc2cccc(S(N)(=O)=O)n2)CC1(C)C.CC(C)C(CO)C(C)C.CC(C)C(COC1=NC(c2ccc(C(=O)O)c(Cl)n2)C=C1)C(C)C.CC(C)C(COc1ccn(C(=O)OC(C)(C)C)n1)C(C)C.CC(C)C(COc1ccn[nH]1)C(C)C.CCOC(=O)c1ccc(C2C=CC(OCC(C(C)C)C(C)C)=N2)nc1Cl.CCOC(=O)c1ccc(Cl)nc1Cl.

What is the InChIKey of tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole?

The InChIKey is JFFCFTZOKKKKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3.C19H32N4O4S.C18H23ClN2O3.C16H28N2O3.C11H20N2O.C9H13NO3.C8H7Cl2NO2.C8H18O/c1-6-25-20(24)14-7-8-17(23-19(14)21)16-9-10-18(22-16)26-11-15(12(2)3)13(4)5;1-18(2,3)27-17(24)23-13-14(12-19(23,4)5)8-7-11-21-15-9-6-10-16(22-15)28(20,25)26;1-10(2)13(11(3)4)9-24-16-8-7-14(20-16)15-6-5-12(18(22)23)17(19)21-15;1-11(2)13(12(3)4)10-20-14-8-9-18(17-14)15(19)21-16(5,6)7;1-8(2)10(9(3)4)7-14-11-5-6-12-13-11;1-9(2,3)13-8(12)10-5-4-7(11)6-10;1-2-13-8(12)5-3-4-6(9)11-7(5)10;1-6(2)8(5-9)7(3)4/h7-10,12-13,15-16H,6,11H2,1-5H3;6,9-10,14H,7-8,11-13H2,1-5H3,(H,21,22)(H2,20,25,26);5-8,10-11,13-14H,9H2,1-4H3,(H,22,23);8-9,11-13H,10H2,1-7H3;5-6,8-10H,7H2,1-4H3,(H,12,13);4-5H,6H2,1-3H3;3-4H,2H2,1H3;6-9H,5H2,1-4H3.

What are the key properties of tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole?

tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole has a molecular weight of 2168.50 g/mol, XLogP of 24.69, 34 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole is sourced from PubChem (CID 158899143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).