2-bromo-4-(dimethylsulfamoylamino)pyridine;2-bromopyridin-4-amine;tert-butyl (3R)-3-[[5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;N,N-dimethylsulfamoyl chloride;2-isocyanoacetic acid

C117H171BBr2ClN33O21S5Si2 — CID 167607991

About 2-bromo-4-(dimethylsulfamoylamino)pyridine;2-bromopyridin-4-amine;tert-butyl (3R)-3-[[5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;N,N-dimethylsulfamoyl chloride;2-isocyanoacetic acid

2-bromo-4-(dimethylsulfamoylamino)pyridine;2-bromopyridin-4-amine;tert-butyl (3R)-3-[[5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;N,N-dimethylsulfamoyl chloride;2-isocyanoacetic acid (PubChem CID 167607991) has the molecular formula C117H171BBr2ClN33O21S5Si2 and a molecular weight of 2798.44 g/mol. Its IUPAC name is 2-bromo-4-(dimethylsulfamoylamino)pyridine;2-bromopyridin-4-amine;tert-butyl (3R)-3-[[5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;N,N-dimethylsulfamoyl chloride;2-isocyanoacetic acid.

Molecular Properties

• Compound Name: 2-bromo-4-(dimethylsulfamoylamino)pyridine;2-bromopyridin-4-amine;tert-butyl (3R)-3-[[5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;N,N-dimethylsulfamoyl chloride;2-isocyanoacetic acid
• PubChem CID: 167607991
• Molecular Formula: C117H171BBr2ClN33O21S5Si2
• Molecular Weight: 2798.44 g/mol
• Exact Mass: 2793.96
• IUPAC Name: 2-bromo-4-(dimethylsulfamoylamino)pyridine;2-bromopyridin-4-amine;tert-butyl (3R)-3-[[5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;N,N-dimethylsulfamoyl chloride;2-isocyanoacetic acid
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CN(C)S(=O)(=O)Cl.CN(C)S(=O)(=O)Nc1ccnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)c1.CN(C)S(=O)(=O)Nc1ccnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)c1.CN(C)S(=O)(=O)Nc1ccnc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1.CN(C)S(=O)(=O)Nc1ccnc(Br)c1.Nc1ccnc(Br)c1.[C-]#[N+]CC(=O)O
• InChI: InChI=1S/C30H47N7O5SSi.C29H49BN4O5Si.C22H26N8O3S.C19H25N7O2S.C7H10BrN3O2S.C5H5BrN2.C3H3NO2.C2H6ClNO2S/c1-30(2,3)42-29(38)36-14-9-10-23(20-36)33-27-24-12-15-37(21-41-16-17-44(6,7)8)28(24)32-19-25(27)26-18-22(11-13-31-26)34-43(39,40)35(4)5;1-27(2,3)37-26(35)33-14-11-12-21(19-33)32-24-22-13-15-34(20-36-16-17-40(8,9)10)25(22)31-18-23(24)30-38-28(4,5)29(6,7)39-30;1-29(2)34(32,33)28-15-6-9-24-19(12-15)18-13-26-22-17(7-10-25-22)21(18)27-16-4-3-11-30(14-16)20(31)5-8-23;1-26(2)29(27,28)25-13-5-8-21-17(10-13)16-12-23-19-15(6-9-22-19)18(16)24-14-4-3-7-20-11-14;1-11(2)14(12,13)10-6-3-4-9-7(8)5-6;6-5-3-4(7)1-2-8-5;1-4-2-3(5)6;1-4(2)7(3,5)6/h11-13,15,18-19,23H,9-10,14,16-17,20-21H2,1-8H3,(H,31,34)(H,32,33);13,15,18,21H,11-12,14,16-17,19-20H2,1-10H3,(H,31,32);6-7,9-10,12-13,16H,3-5,11,14H2,1-2H3,(H,24,28)(H2,25,26,27);5-6,8-10,12,14,20H,3-4,7,11H2,1-2H3,(H,21,25)(H2,22,23,24);3-5H,1-2H3,(H,9,10);1-3H,(H2,7,8);2H2,(H,5,6);1-2H3/t23-;21-;16-;14-;;;;/m1111..../s1
• InChIKey: KQMKOFYQHICCGH-COBCECDFSA-N
• XLogP: 17.58
• TPSA: 660.40 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 38
• Rotatable Bonds: 37
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2798.44
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(dimethylsulfamoylamino)pyridine;2-bromopyridin-4-amine;tert-butyl (3R)-3-[[5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;N,N-dimethylsulfamoyl chloride;2-isocyanoacetic acid?

The IUPAC name of 2-bromo-4-(dimethylsulfamoylamino)pyridine;2-bromopyridin-4-amine;tert-butyl (3R)-3-[[5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;N,N-dimethylsulfamoyl chloride;2-isocyanoacetic acid (CID 167607991) is 2-bromo-4-(dimethylsulfamoylamino)pyridine;2-bromopyridin-4-amine;tert-butyl (3R)-3-[[5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;N,N-dimethylsulfamoyl chloride;2-isocyanoacetic acid.

What is the SMILES notation for 2-bromo-4-(dimethylsulfamoylamino)pyridine;2-bromopyridin-4-amine;tert-butyl (3R)-3-[[5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;N,N-dimethylsulfamoyl chloride;2-isocyanoacetic acid?

The canonical SMILES for 2-bromo-4-(dimethylsulfamoylamino)pyridine;2-bromopyridin-4-amine;tert-butyl (3R)-3-[[5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;N,N-dimethylsulfamoyl chloride;2-isocyanoacetic acid is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CN(C)S(=O)(=O)Cl.CN(C)S(=O)(=O)Nc1ccnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)c1.CN(C)S(=O)(=O)Nc1ccnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)c1.CN(C)S(=O)(=O)Nc1ccnc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1.CN(C)S(=O)(=O)Nc1ccnc(Br)c1.Nc1ccnc(Br)c1.[C-]#[N+]CC(=O)O.

What is the InChIKey of 2-bromo-4-(dimethylsulfamoylamino)pyridine;2-bromopyridin-4-amine;tert-butyl (3R)-3-[[5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;N,N-dimethylsulfamoyl chloride;2-isocyanoacetic acid?

The InChIKey is KQMKOFYQHICCGH-COBCECDFSA-N. The full InChI is InChI=1S/C30H47N7O5SSi.C29H49BN4O5Si.C22H26N8O3S.C19H25N7O2S.C7H10BrN3O2S.C5H5BrN2.C3H3NO2.C2H6ClNO2S/c1-30(2,3)42-29(38)36-14-9-10-23(20-36)33-27-24-12-15-37(21-41-16-17-44(6,7)8)28(24)32-19-25(27)26-18-22(11-13-31-26)34-43(39,40)35(4)5;1-27(2,3)37-26(35)33-14-11-12-21(19-33)32-24-22-13-15-34(20-36-16-17-40(8,9)10)25(22)31-18-23(24)30-38-28(4,5)29(6,7)39-30;1-29(2)34(32,33)28-15-6-9-24-19(12-15)18-13-26-22-17(7-10-25-22)21(18)27-16-4-3-11-30(14-16)20(31)5-8-23;1-26(2)29(27,28)25-13-5-8-21-17(10-13)16-12-23-19-15(6-9-22-19)18(16)24-14-4-3-7-20-11-14;1-11(2)14(12,13)10-6-3-4-9-7(8)5-6;6-5-3-4(7)1-2-8-5;1-4-2-3(5)6;1-4(2)7(3,5)6/h11-13,15,18-19,23H,9-10,14,16-17,20-21H2,1-8H3,(H,31,34)(H,32,33);13,15,18,21H,11-12,14,16-17,19-20H2,1-10H3,(H,31,32);6-7,9-10,12-13,16H,3-5,11,14H2,1-2H3,(H,24,28)(H2,25,26,27);5-6,8-10,12,14,20H,3-4,7,11H2,1-2H3,(H,21,25)(H2,22,23,24);3-5H,1-2H3,(H,9,10);1-3H,(H2,7,8);2H2,(H,5,6);1-2H3/t23-;21-;16-;14-;;;;/m1111..../s1.

What are the key properties of 2-bromo-4-(dimethylsulfamoylamino)pyridine;2-bromopyridin-4-amine;tert-butyl (3R)-3-[[5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;N,N-dimethylsulfamoyl chloride;2-isocyanoacetic acid?

2-bromo-4-(dimethylsulfamoylamino)pyridine;2-bromopyridin-4-amine;tert-butyl (3R)-3-[[5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;N,N-dimethylsulfamoyl chloride;2-isocyanoacetic acid has a molecular weight of 2798.44 g/mol, XLogP of 17.58, 37 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-(dimethylsulfamoylamino)pyridine;2-bromopyridin-4-amine;tert-butyl (3R)-3-[[5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-[4-(dimethylsulfamoylamino)-2-pyridinyl]-4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine;N,N-dimethylsulfamoyl chloride;2-isocyanoacetic acid is sourced from PubChem (CID 167607991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).