3-[(3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;6-bromopyridin-2-amine;tert-butyl (3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl N-(6-bromo-2-pyridinyl)carbamate;tert-butyl (3R)-3-[[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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

C132H187BBr2N28O22Si2 — CID 167653977

About 3-[(3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;6-bromopyridin-2-amine;tert-butyl (3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl N-(6-bromo-2-pyridinyl)carbamate;tert-butyl (3R)-3-[[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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

3-[(3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;6-bromopyridin-2-amine;tert-butyl (3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl N-(6-bromo-2-pyridinyl)carbamate;tert-butyl (3R)-3-[[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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 (PubChem CID 167653977) has the molecular formula C132H187BBr2N28O22Si2 and a molecular weight of 2744.91 g/mol. Its IUPAC name is 3-[(3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;6-bromopyridin-2-amine;tert-butyl (3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl N-(6-bromo-2-pyridinyl)carbamate;tert-butyl (3R)-3-[[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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.

Molecular Properties

• Compound Name: 3-[(3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;6-bromopyridin-2-amine;tert-butyl (3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl N-(6-bromo-2-pyridinyl)carbamate;tert-butyl (3R)-3-[[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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
• PubChem CID: 167653977
• Molecular Formula: C132H187BBr2N28O22Si2
• Molecular Weight: 2744.91 g/mol
• Exact Mass: 2741.24
• IUPAC Name: 3-[(3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;6-bromopyridin-2-amine;tert-butyl (3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl N-(6-bromo-2-pyridinyl)carbamate;tert-butyl (3R)-3-[[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3cccc(N)n3)cnc3[nH]ccc23)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)Nc1cccc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.CC(C)(C)OC(=O)Nc1cccc(Br)n1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.N#CCC(=O)N1CCC[C@@H](Nc2c(-c3cccc(N)n3)cnc3[nH]ccc23)C1.N#CCC(=O)O.Nc1cccc(Br)n1
• InChI: InChI=1S/C33H50N6O5Si.C29H49BN4O5Si.C22H28N6O2.C20H21N7O.C10H13BrN2O2.C10H18O5.C5H5BrN2.C3H3NO2/c1-32(2,3)43-30(40)37-27-14-10-13-26(36-27)25-20-34-29-24(15-17-39(29)22-42-18-19-45(7,8)9)28(25)35-23-12-11-16-38(21-23)31(41)44-33(4,5)6;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;1-22(2,3)30-21(29)28-11-5-6-14(13-28)26-19-15-9-10-24-20(15)25-12-16(19)17-7-4-8-18(23)27-17;21-8-6-18(28)27-10-2-3-13(12-27)25-19-14-7-9-23-20(14)24-11-15(19)16-4-1-5-17(22)26-16;1-10(2,3)15-9(14)13-8-6-4-5-7(11)12-8;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;6-4-2-1-3-5(7)8-4;4-2-1-3(5)6/h10,13-15,17,20,23H,11-12,16,18-19,21-22H2,1-9H3,(H,34,35)(H,36,37,40);13,15,18,21H,11-12,14,16-17,19-20H2,1-10H3,(H,31,32);4,7-10,12,14H,5-6,11,13H2,1-3H3,(H2,23,27)(H2,24,25,26);1,4-5,7,9,11,13H,2-3,6,10,12H2,(H2,22,26)(H2,23,24,25);4-6H,1-3H3,(H,12,13,14);1-6H3;1-3H,(H2,7,8);1H2,(H,5,6)/t23-;21-;14-;13-;;;;/m1111..../s1
• InChIKey: QZEMZWKEMDHRHR-IHJZGEGFSA-N
• XLogP: 27.05
• TPSA: 652.85 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 26
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2744.91
LogP ≤ 5	27.05
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

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'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;6-bromopyridin-2-amine;tert-butyl (3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl N-(6-bromo-2-pyridinyl)carbamate;tert-butyl (3R)-3-[[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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?

The IUPAC name of 3-[(3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;6-bromopyridin-2-amine;tert-butyl (3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl N-(6-bromo-2-pyridinyl)carbamate;tert-butyl (3R)-3-[[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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 (CID 167653977) is 3-[(3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;6-bromopyridin-2-amine;tert-butyl (3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl N-(6-bromo-2-pyridinyl)carbamate;tert-butyl (3R)-3-[[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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.

What is the SMILES notation for 3-[(3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;6-bromopyridin-2-amine;tert-butyl (3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl N-(6-bromo-2-pyridinyl)carbamate;tert-butyl (3R)-3-[[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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?

The canonical SMILES for 3-[(3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;6-bromopyridin-2-amine;tert-butyl (3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl N-(6-bromo-2-pyridinyl)carbamate;tert-butyl (3R)-3-[[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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 is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3cccc(N)n3)cnc3[nH]ccc23)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(B3OC(C)(C)C(C)(C)O3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)Nc1cccc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.CC(C)(C)OC(=O)Nc1cccc(Br)n1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.N#CCC(=O)N1CCC[C@@H](Nc2c(-c3cccc(N)n3)cnc3[nH]ccc23)C1.N#CCC(=O)O.Nc1cccc(Br)n1.

What is the InChIKey of 3-[(3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;6-bromopyridin-2-amine;tert-butyl (3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl N-(6-bromo-2-pyridinyl)carbamate;tert-butyl (3R)-3-[[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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?

The InChIKey is QZEMZWKEMDHRHR-IHJZGEGFSA-N. The full InChI is InChI=1S/C33H50N6O5Si.C29H49BN4O5Si.C22H28N6O2.C20H21N7O.C10H13BrN2O2.C10H18O5.C5H5BrN2.C3H3NO2/c1-32(2,3)43-30(40)37-27-14-10-13-26(36-27)25-20-34-29-24(15-17-39(29)22-42-18-19-45(7,8)9)28(25)35-23-12-11-16-38(21-23)31(41)44-33(4,5)6;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;1-22(2,3)30-21(29)28-11-5-6-14(13-28)26-19-15-9-10-24-20(15)25-12-16(19)17-7-4-8-18(23)27-17;21-8-6-18(28)27-10-2-3-13(12-27)25-19-14-7-9-23-20(14)24-11-15(19)16-4-1-5-17(22)26-16;1-10(2,3)15-9(14)13-8-6-4-5-7(11)12-8;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;6-4-2-1-3-5(7)8-4;4-2-1-3(5)6/h10,13-15,17,20,23H,11-12,16,18-19,21-22H2,1-9H3,(H,34,35)(H,36,37,40);13,15,18,21H,11-12,14,16-17,19-20H2,1-10H3,(H,31,32);4,7-10,12,14H,5-6,11,13H2,1-3H3,(H2,23,27)(H2,24,25,26);1,4-5,7,9,11,13H,2-3,6,10,12H2,(H2,22,26)(H2,23,24,25);4-6H,1-3H3,(H,12,13,14);1-6H3;1-3H,(H2,7,8);1H2,(H,5,6)/t23-;21-;14-;13-;;;;/m1111..../s1.

What are the key properties of 3-[(3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;6-bromopyridin-2-amine;tert-butyl (3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl N-(6-bromo-2-pyridinyl)carbamate;tert-butyl (3R)-3-[[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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?

3-[(3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;6-bromopyridin-2-amine;tert-butyl (3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl N-(6-bromo-2-pyridinyl)carbamate;tert-butyl (3R)-3-[[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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 has a molecular weight of 2744.91 g/mol, XLogP of 27.05, 26 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;6-bromopyridin-2-amine;tert-butyl (3R)-3-[[5-(6-amino-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl N-(6-bromo-2-pyridinyl)carbamate;tert-butyl (3R)-3-[[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;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 is sourced from PubChem (CID 167653977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).