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-(5-methyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-methyl-1,3-oxazole;5-(5-methyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

C98H139BrN22O14Si3 — CID 158291608

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-(5-methyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-methyl-1,3-oxazole;5-(5-methyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile

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-(5-methyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-methyl-1,3-oxazole;5-(5-methyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (PubChem CID 158291608) has the molecular formula C98H139BrN22O14Si3 and a molecular weight of 2013.49 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-(5-methyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-methyl-1,3-oxazole;5-(5-methyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.

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-(5-methyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-methyl-1,3-oxazole;5-(5-methyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
• PubChem CID: 158291608
• Molecular Formula: C98H139BrN22O14Si3
• Molecular Weight: 2013.49 g/mol
• Exact Mass: 2010.93
• 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-(5-methyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-methyl-1,3-oxazole;5-(5-methyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cnc3c2ccn3COCC[Si](C)(C)C)C1.Cc1cnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)o1.Cc1cnc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1.Cc1cnc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCNC2)o1.Cc1cnco1.N#CCC(=O)O
• InChI: InChI=1S/C27H41N5O4Si.C23H37BrN4O3Si.C22H33N5O2Si.C19H20N6O2.C4H5NO.C3H3NO2/c1-19-15-29-25(35-19)22-16-28-24-21(10-12-32(24)18-34-13-14-37(5,6)7)23(22)30-20-9-8-11-31(17-20)26(33)36-27(2,3)4;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;1-16-12-25-22(29-16)19-14-24-21-18(20(19)26-17-6-5-8-23-13-17)7-9-27(21)15-28-10-11-30(2,3)4;1-12-9-23-19(27-12)15-10-22-18-14(5-7-21-18)17(15)24-13-3-2-8-25(11-13)16(26)4-6-20;1-4-2-5-3-6-4;4-2-1-3(5)6/h10,12,15-16,20H,8-9,11,13-14,17-18H2,1-7H3,(H,28,30);9,11,14,17H,7-8,10,12-13,15-16H2,1-6H3,(H,25,26);7,9,12,14,17,23H,5-6,8,10-11,13,15H2,1-4H3,(H,24,26);5,7,9-10,13H,2-4,8,11H2,1H3,(H2,21,22,24);2-3H,1H3;1H2,(H,5,6)/t20-;2*17-;13-;;/m1111../s1
• InChIKey: GLKQZKFUNWUGSJ-VXEVVEJNSA-N
• XLogP: 20.33
• TPSA: 438.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2013.49
LogP ≤ 5	20.33
H-Bond Donors ≤ 5	7
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-(5-methyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-methyl-1,3-oxazole;5-(5-methyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?

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-(5-methyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-methyl-1,3-oxazole;5-(5-methyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile (CID 158291608) 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-(5-methyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-methyl-1,3-oxazole;5-(5-methyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile.

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-(5-methyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-methyl-1,3-oxazole;5-(5-methyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?

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-(5-methyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-methyl-1,3-oxazole;5-(5-methyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(Br)cnc3c2ccn3COCC[Si](C)(C)C)C1.Cc1cnc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCN(C(=O)CC#N)C2)o1.Cc1cnc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)o1.Cc1cnc(-c2cnc3c(ccn3COCC[Si](C)(C)C)c2N[C@@H]2CCCNC2)o1.Cc1cnco1.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-(5-methyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-methyl-1,3-oxazole;5-(5-methyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?

The InChIKey is GLKQZKFUNWUGSJ-VXEVVEJNSA-N. The full InChI is InChI=1S/C27H41N5O4Si.C23H37BrN4O3Si.C22H33N5O2Si.C19H20N6O2.C4H5NO.C3H3NO2/c1-19-15-29-25(35-19)22-16-28-24-21(10-12-32(24)18-34-13-14-37(5,6)7)23(22)30-20-9-8-11-31(17-20)26(33)36-27(2,3)4;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;1-16-12-25-22(29-16)19-14-24-21-18(20(19)26-17-6-5-8-23-13-17)7-9-27(21)15-28-10-11-30(2,3)4;1-12-9-23-19(27-12)15-10-22-18-14(5-7-21-18)17(15)24-13-3-2-8-25(11-13)16(26)4-6-20;1-4-2-5-3-6-4;4-2-1-3(5)6/h10,12,15-16,20H,8-9,11,13-14,17-18H2,1-7H3,(H,28,30);9,11,14,17H,7-8,10,12-13,15-16H2,1-6H3,(H,25,26);7,9,12,14,17,23H,5-6,8,10-11,13,15H2,1-4H3,(H,24,26);5,7,9-10,13H,2-4,8,11H2,1H3,(H2,21,22,24);2-3H,1H3;1H2,(H,5,6)/t20-;2*17-;13-;;/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-(5-methyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-methyl-1,3-oxazole;5-(5-methyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile?

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-(5-methyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-methyl-1,3-oxazole;5-(5-methyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile has a molecular weight of 2013.49 g/mol, XLogP of 20.33, 28 rotatable bonds, 7 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-(5-methyl-1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-cyanoacetic acid;5-methyl-1,3-oxazole;5-(5-methyl-1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(5-methyl-1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 158291608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).