2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)methanesulfonamide;tert-butyl (3R)-3-[[5-[4-(methanesulfonamido)-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;2-cyanoacetic acid;N-[2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide;methanesulfonyl chloride;N-[2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide

C112H156BBr2ClN28O21S5Si2 — CID 159790942

About 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)methanesulfonamide;tert-butyl (3R)-3-[[5-[4-(methanesulfonamido)-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;2-cyanoacetic acid;N-[2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide;methanesulfonyl chloride;N-[2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide

2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)methanesulfonamide;tert-butyl (3R)-3-[[5-[4-(methanesulfonamido)-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;2-cyanoacetic acid;N-[2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide;methanesulfonyl chloride;N-[2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide (PubChem CID 159790942) has the molecular formula C112H156BBr2ClN28O21S5Si2 and a molecular weight of 2653.23 g/mol. Its IUPAC name is 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)methanesulfonamide;tert-butyl (3R)-3-[[5-[4-(methanesulfonamido)-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;2-cyanoacetic acid;N-[2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide;methanesulfonyl chloride;N-[2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)methanesulfonamide;tert-butyl (3R)-3-[[5-[4-(methanesulfonamido)-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;2-cyanoacetic acid;N-[2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide;methanesulfonyl chloride;N-[2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide
• PubChem CID: 159790942
• Molecular Formula: C112H156BBr2ClN28O21S5Si2
• Molecular Weight: 2653.23 g/mol
• Exact Mass: 2648.83
• IUPAC Name: 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)methanesulfonamide;tert-butyl (3R)-3-[[5-[4-(methanesulfonamido)-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;2-cyanoacetic acid;N-[2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide;methanesulfonyl chloride;N-[2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3cc(NS(C)(=O)=O)ccn3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CS(=O)(=O)Cl.CS(=O)(=O)Nc1ccnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)c1.CS(=O)(=O)Nc1ccnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)c1.CS(=O)(=O)Nc1ccnc(Br)c1.N#CCC(=O)O.Nc1ccnc(Br)c1
• InChI: InChI=1S/C29H49BN4O5Si.C29H44N6O5SSi.C21H23N7O3S.C18H22N6O2S.C6H7BrN2O2S.C5H5BrN2.C3H3NO2.CH3ClO2S/c1-27(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(2,3)40-28(36)34-13-8-9-22(19-34)32-26-23-11-14-35(20-39-15-16-42(5,6)7)27(23)31-18-24(26)25-17-21(10-12-30-25)33-41(4,37)38;1-32(30,31)27-14-5-8-23-18(11-14)17-12-25-21-16(6-9-24-21)20(17)26-15-3-2-10-28(13-15)19(29)4-7-22;1-27(25,26)24-12-4-7-20-16(9-12)15-11-22-18-14(5-8-21-18)17(15)23-13-3-2-6-19-10-13;1-12(10,11)9-5-2-3-8-6(7)4-5;6-5-3-4(7)1-2-8-5;4-2-1-3(5)6;1-5(2,3)4/h13,15,18,21H,11-12,14,16-17,19-20H2,1-10H3,(H,31,32);10-12,14,17-18,22H,8-9,13,15-16,19-20H2,1-7H3,(H,30,33)(H,31,32);5-6,8-9,11-12,15H,2-4,10,13H2,1H3,(H,23,27)(H2,24,25,26);4-5,7-9,11,13,19H,2-3,6,10H2,1H3,(H,20,24)(H2,21,22,23);2-4H,1H3,(H,8,9);1-3H,(H2,7,8);1H2,(H,5,6);1H3/t21-;22-;15-;13-;;;;/m1111..../s1
• InChIKey: NINVXZVQPJISDM-NNZZOWSRSA-N
• XLogP: 18.34
• TPSA: 663.63 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2653.23
LogP ≤ 5	18.34
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)methanesulfonamide;tert-butyl (3R)-3-[[5-[4-(methanesulfonamido)-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;2-cyanoacetic acid;N-[2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide;methanesulfonyl chloride;N-[2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide?

The IUPAC name of 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)methanesulfonamide;tert-butyl (3R)-3-[[5-[4-(methanesulfonamido)-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;2-cyanoacetic acid;N-[2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide;methanesulfonyl chloride;N-[2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide (CID 159790942) is 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)methanesulfonamide;tert-butyl (3R)-3-[[5-[4-(methanesulfonamido)-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;2-cyanoacetic acid;N-[2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide;methanesulfonyl chloride;N-[2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide.

What is the SMILES notation for 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)methanesulfonamide;tert-butyl (3R)-3-[[5-[4-(methanesulfonamido)-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;2-cyanoacetic acid;N-[2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide;methanesulfonyl chloride;N-[2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide?

The canonical SMILES for 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)methanesulfonamide;tert-butyl (3R)-3-[[5-[4-(methanesulfonamido)-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;2-cyanoacetic acid;N-[2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide;methanesulfonyl chloride;N-[2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3cc(NS(C)(=O)=O)ccn3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CS(=O)(=O)Cl.CS(=O)(=O)Nc1ccnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)c1.CS(=O)(=O)Nc1ccnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)c1.CS(=O)(=O)Nc1ccnc(Br)c1.N#CCC(=O)O.Nc1ccnc(Br)c1.

What is the InChIKey of 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)methanesulfonamide;tert-butyl (3R)-3-[[5-[4-(methanesulfonamido)-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;2-cyanoacetic acid;N-[2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide;methanesulfonyl chloride;N-[2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide?

The InChIKey is NINVXZVQPJISDM-NNZZOWSRSA-N. The full InChI is InChI=1S/C29H49BN4O5Si.C29H44N6O5SSi.C21H23N7O3S.C18H22N6O2S.C6H7BrN2O2S.C5H5BrN2.C3H3NO2.CH3ClO2S/c1-27(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(2,3)40-28(36)34-13-8-9-22(19-34)32-26-23-11-14-35(20-39-15-16-42(5,6)7)27(23)31-18-24(26)25-17-21(10-12-30-25)33-41(4,37)38;1-32(30,31)27-14-5-8-23-18(11-14)17-12-25-21-16(6-9-24-21)20(17)26-15-3-2-10-28(13-15)19(29)4-7-22;1-27(25,26)24-12-4-7-20-16(9-12)15-11-22-18-14(5-8-21-18)17(15)23-13-3-2-6-19-10-13;1-12(10,11)9-5-2-3-8-6(7)4-5;6-5-3-4(7)1-2-8-5;4-2-1-3(5)6;1-5(2,3)4/h13,15,18,21H,11-12,14,16-17,19-20H2,1-10H3,(H,31,32);10-12,14,17-18,22H,8-9,13,15-16,19-20H2,1-7H3,(H,30,33)(H,31,32);5-6,8-9,11-12,15H,2-4,10,13H2,1H3,(H,23,27)(H2,24,25,26);4-5,7-9,11,13,19H,2-3,6,10H2,1H3,(H,20,24)(H2,21,22,23);2-4H,1H3,(H,8,9);1-3H,(H2,7,8);1H2,(H,5,6);1H3/t21-;22-;15-;13-;;;;/m1111..../s1.

What are the key properties of 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)methanesulfonamide;tert-butyl (3R)-3-[[5-[4-(methanesulfonamido)-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;2-cyanoacetic acid;N-[2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide;methanesulfonyl chloride;N-[2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide?

2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)methanesulfonamide;tert-butyl (3R)-3-[[5-[4-(methanesulfonamido)-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;2-cyanoacetic acid;N-[2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide;methanesulfonyl chloride;N-[2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide has a molecular weight of 2653.23 g/mol, XLogP of 18.34, 32 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyridin-4-amine;N-(2-bromo-4-pyridinyl)methanesulfonamide;tert-butyl (3R)-3-[[5-[4-(methanesulfonamido)-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;2-cyanoacetic acid;N-[2-[4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide;methanesulfonyl chloride;N-[2-[4-[[(3R)-piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-pyridinyl]methanesulfonamide is sourced from PubChem (CID 159790942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).