tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C98H132BBrF8N26O11Si2 — CID 157286014

About tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 157286014) has the molecular formula C98H132BBrF8N26O11Si2 and a molecular weight of 2149.18 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 157286014
• Molecular Formula: C98H132BBrF8N26O11Si2
• Molecular Weight: 2149.18 g/mol
• Exact Mass: 2146.93
• IUPAC Name: tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3ccn(C(F)F)n3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC1(C)OB(c2ccn(C(F)F)n2)OC1(C)C.FC(F)n1ccc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)n1.N#CCC(=O)N1CCC[C@@H](Nc2c(-c3ccn(C(F)F)n3)cnc3[nH]ccc23)C1.N#CCC(=O)O
• InChI: InChI=1S/C27H40F2N6O3Si.C23H37BrN4O3Si.C19H19F2N7O.C16H18F2N6.C10H15BF2N2O2.C3H3NO2/c1-27(2,3)38-26(36)33-11-7-8-19(17-33)31-23-20-9-12-34(18-37-14-15-39(4,5)6)24(20)30-16-21(23)22-10-13-35(32-22)25(28)29;1-23(2,3)31-22(29)27-10-7-8-17(15-27)26-20-18-9-11-28(21(18)25-14-19(20)24)16-30-12-13-32(4,5)6;20-19(21)28-9-5-15(26-28)14-10-24-18-13(4-7-23-18)17(14)25-12-2-1-8-27(11-12)16(29)3-6-22;17-16(18)24-7-4-13(23-24)12-9-21-15-11(3-6-20-15)14(12)22-10-2-1-5-19-8-10;1-9(2)10(3,4)17-11(16-9)7-5-6-15(14-7)8(12)13;4-2-1-3(5)6/h9-10,12-13,16,19,25H,7-8,11,14-15,17-18H2,1-6H3,(H,30,31);9,11,14,17H,7-8,10,12-13,15-16H2,1-6H3,(H,25,26);4-5,7,9-10,12,19H,1-3,8,11H2,(H2,23,24,25);3-4,6-7,9-10,16,19H,1-2,5,8H2,(H2,20,21,22);5-6,8H,1-4H3;1H2,(H,5,6)/t19-;17-;12-;10-;;/m1111../s1
• InChIKey: BAFYJFGOZAIOLE-DRACNESNSA-N
• XLogP: 20.03
• TPSA: 425.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2149.18
LogP ≤ 5	20.03
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 157286014) is tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3ccn(C(F)F)n3)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cnc3c2ccn3COCC[Si](C)(C)C)C1.CC1(C)OB(c2ccn(C(F)F)n2)OC1(C)C.FC(F)n1ccc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)n1.N#CCC(=O)N1CCC[C@@H](Nc2c(-c3ccn(C(F)F)n3)cnc3[nH]ccc23)C1.N#CCC(=O)O.

What is the InChIKey of tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is BAFYJFGOZAIOLE-DRACNESNSA-N. The full InChI is InChI=1S/C27H40F2N6O3Si.C23H37BrN4O3Si.C19H19F2N7O.C16H18F2N6.C10H15BF2N2O2.C3H3NO2/c1-27(2,3)38-26(36)33-11-7-8-19(17-33)31-23-20-9-12-34(18-37-14-15-39(4,5)6)24(20)30-16-21(23)22-10-13-35(32-22)25(28)29;1-23(2,3)31-22(29)27-10-7-8-17(15-27)26-20-18-9-11-28(21(18)25-14-19(20)24)16-30-12-13-32(4,5)6;20-19(21)28-9-5-15(26-28)14-10-24-18-13(4-7-23-18)17(14)25-12-2-1-8-27(11-12)16(29)3-6-22;17-16(18)24-7-4-13(23-24)12-9-21-15-11(3-6-20-15)14(12)22-10-2-1-5-19-8-10;1-9(2)10(3,4)17-11(16-9)7-5-6-15(14-7)8(12)13;4-2-1-3(5)6/h9-10,12-13,16,19,25H,7-8,11,14-15,17-18H2,1-6H3,(H,30,31);9,11,14,17H,7-8,10,12-13,15-16H2,1-6H3,(H,25,26);4-5,7,9-10,12,19H,1-3,8,11H2,(H2,23,24,25);3-4,6-7,9-10,16,19H,1-2,5,8H2,(H2,20,21,22);5-6,8H,1-4H3;1H2,(H,5,6)/t19-;17-;12-;10-;;/m1111../s1.

What are the key properties of tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 2149.18 g/mol, XLogP of 20.03, 28 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-[[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-[1-(difluoromethyl)pyrazol-3-yl]-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-[1-(difluoromethyl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;1-(difluoromethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 157286014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).