benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C98H121ClN22O13Si2 — CID 158271062

About benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine

benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 158271062) has the molecular formula C98H121ClN22O13Si2 and a molecular weight of 1906.81 g/mol. Its IUPAC name is benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

• Compound Name: benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
• PubChem CID: 158271062
• Molecular Formula: C98H121ClN22O13Si2
• Molecular Weight: 1906.81 g/mol
• Exact Mass: 1904.87
• IUPAC Name: benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
• SMILES: C[C@H]1CC[C@@H](N)CN1C(=O)OCc1ccccc1.C[C@H]1CC[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)CN1.C[C@H]1CC[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)CN1C(=O)CC#N.C[C@H]1CC[C@@H](Nc2c(-c3ncco3)cnc3c2ccn3COCC[Si](C)(C)C)CN1C(=O)OCc1ccccc1.C[Si](C)(C)CCOCn1ccc2c(Cl)c(-c3ncco3)cnc21.N#CCC(=O)O
• InChI: InChI=1S/C30H39N5O4Si.C19H20N6O2.C16H20ClN3O2Si.C16H19N5O.C14H20N2O2.C3H3NO2/c1-22-10-11-24(19-35(22)30(36)39-20-23-8-6-5-7-9-23)33-27-25-12-14-34(21-37-16-17-40(2,3)4)28(25)32-18-26(27)29-31-13-15-38-29;1-12-2-3-13(11-25(12)16(26)4-6-20)24-17-14-5-7-21-18(14)23-10-15(17)19-22-8-9-27-19;1-23(2,3)9-8-21-11-20-6-4-12-14(17)13(10-19-15(12)20)16-18-5-7-22-16;1-10-2-3-11(8-19-10)21-14-12-4-5-17-15(12)20-9-13(14)16-18-6-7-22-16;1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12;4-2-1-3(5)6/h5-9,12-15,18,22,24H,10-11,16-17,19-21H2,1-4H3,(H,32,33);5,7-10,12-13H,2-4,11H2,1H3,(H2,21,23,24);4-7,10H,8-9,11H2,1-3H3;4-7,9-11,19H,2-3,8H2,1H3,(H2,17,20,21);2-6,11,13H,7-10,15H2,1H3;1H2,(H,5,6)/t22-,24+;12-,13+;;10-,11+;11-,13+;/m00.00./s1
• InChIKey: GJANNHDETYWSEH-DYPINPGBSA-N
• XLogP: 19.07
• TPSA: 453.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1906.81
LogP ≤ 5	19.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

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 benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?

The IUPAC name of benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 158271062) is benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

What is the SMILES notation for benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?

The canonical SMILES for benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is C[C@H]1CC[C@@H](N)CN1C(=O)OCc1ccccc1.C[C@H]1CC[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)CN1.C[C@H]1CC[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)CN1C(=O)CC#N.C[C@H]1CC[C@@H](Nc2c(-c3ncco3)cnc3c2ccn3COCC[Si](C)(C)C)CN1C(=O)OCc1ccccc1.C[Si](C)(C)CCOCn1ccc2c(Cl)c(-c3ncco3)cnc21.N#CCC(=O)O.

What is the InChIKey of benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?

The InChIKey is GJANNHDETYWSEH-DYPINPGBSA-N. The full InChI is InChI=1S/C30H39N5O4Si.C19H20N6O2.C16H20ClN3O2Si.C16H19N5O.C14H20N2O2.C3H3NO2/c1-22-10-11-24(19-35(22)30(36)39-20-23-8-6-5-7-9-23)33-27-25-12-14-34(21-37-16-17-40(2,3)4)28(25)32-18-26(27)29-31-13-15-38-29;1-12-2-3-13(11-25(12)16(26)4-6-20)24-17-14-5-7-21-18(14)23-10-15(17)19-22-8-9-27-19;1-23(2,3)9-8-21-11-20-6-4-12-14(17)13(10-19-15(12)20)16-18-5-7-22-16;1-10-2-3-11(8-19-10)21-14-12-4-5-17-15(12)20-9-13(14)16-18-6-7-22-16;1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12;4-2-1-3(5)6/h5-9,12-15,18,22,24H,10-11,16-17,19-21H2,1-4H3,(H,32,33);5,7-10,12-13H,2-4,11H2,1H3,(H2,21,23,24);4-7,10H,8-9,11H2,1-3H3;4-7,9-11,19H,2-3,8H2,1H3,(H2,17,20,21);2-6,11,13H,7-10,15H2,1H3;1H2,(H,5,6)/t22-,24+;12-,13+;;10-,11+;11-,13+;/m00.00./s1.

What are the key properties of benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine?

benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 1906.81 g/mol, XLogP of 19.07, 26 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2S,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-cyanoacetic acid;3-[(2S,5R)-2-methyl-5-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;N-[(3R,6S)-6-methylpiperidin-3-yl]-5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 158271062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).