benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-2-methyl-5-[[5-methyl-4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C71H89F3N16O8S3Si2 — CID 163984707

About benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-2-methyl-5-[[5-methyl-4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-2-methyl-5-[[5-methyl-4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 163984707) has the molecular formula C71H89F3N16O8S3Si2 and a molecular weight of 1503.96 g/mol. Its IUPAC name is benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-2-methyl-5-[[5-methyl-4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-2-methyl-5-[[5-methyl-4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• PubChem CID: 163984707
• Molecular Formula: C71H89F3N16O8S3Si2
• Molecular Weight: 1503.96 g/mol
• Exact Mass: 1502.57
• IUPAC Name: benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-2-methyl-5-[[5-methyl-4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• SMILES: C[C@@H]1CC[C@@H](N)CN1C(=O)OCc1ccccc1.Cc1nnc(-c2ccc3c(-c4nc(N[C@@H]5CC[C@@H](C)N(C(=O)OCc6ccccc6)C5)ncc4C)cn(COCC[Si](C)(C)C)c3n2)s1.Cc1nnc(-c2ccc3c(-c4nc(S(C)(=O)=O)ncc4C(F)(F)F)cn(COCC[Si](C)(C)C)c3n2)s1
• InChI: InChI=1S/C35H44N8O3SSi.C22H25F3N6O3S2Si.C14H20N2O2/c1-23-18-36-34(37-27-13-12-24(2)43(19-27)35(44)46-21-26-10-8-7-9-11-26)39-31(23)29-20-42(22-45-16-17-48(4,5)6)32-28(29)14-15-30(38-32)33-41-40-25(3)47-33;1-13-29-30-20(35-13)17-7-6-14-15(11-31(19(14)27-17)12-34-8-9-37(3,4)5)18-16(22(23,24)25)10-26-21(28-18)36(2,32)33;1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12/h7-11,14-15,18,20,24,27H,12-13,16-17,19,21-22H2,1-6H3,(H,36,37,39);6-7,10-11H,8-9,12H2,1-5H3;2-6,11,13H,7-10,15H2,1H3/t24-,27-;;11-,13-/m1.1/s1
• InChIKey: TVFZMITWNLLJTP-XOLISTIISA-N
• XLogP: 14.73
• TPSA: 288.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1503.96
LogP ≤ 5	14.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

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 (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-2-methyl-5-[[5-methyl-4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The IUPAC name of benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-2-methyl-5-[[5-methyl-4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 163984707) is benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-2-methyl-5-[[5-methyl-4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-2-methyl-5-[[5-methyl-4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The canonical SMILES for benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-2-methyl-5-[[5-methyl-4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is C[C@@H]1CC[C@@H](N)CN1C(=O)OCc1ccccc1.Cc1nnc(-c2ccc3c(-c4nc(N[C@@H]5CC[C@@H](C)N(C(=O)OCc6ccccc6)C5)ncc4C)cn(COCC[Si](C)(C)C)c3n2)s1.Cc1nnc(-c2ccc3c(-c4nc(S(C)(=O)=O)ncc4C(F)(F)F)cn(COCC[Si](C)(C)C)c3n2)s1.

What is the InChIKey of benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-2-methyl-5-[[5-methyl-4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The InChIKey is TVFZMITWNLLJTP-XOLISTIISA-N. The full InChI is InChI=1S/C35H44N8O3SSi.C22H25F3N6O3S2Si.C14H20N2O2/c1-23-18-36-34(37-27-13-12-24(2)43(19-27)35(44)46-21-26-10-8-7-9-11-26)39-31(23)29-20-42(22-45-16-17-48(4,5)6)32-28(29)14-15-30(38-32)33-41-40-25(3)47-33;1-13-29-30-20(35-13)17-7-6-14-15(11-31(19(14)27-17)12-34-8-9-37(3,4)5)18-16(22(23,24)25)10-26-21(28-18)36(2,32)33;1-11-7-8-13(15)9-16(11)14(17)18-10-12-5-3-2-4-6-12/h7-11,14-15,18,20,24,27H,12-13,16-17,19,21-22H2,1-6H3,(H,36,37,39);6-7,10-11H,8-9,12H2,1-5H3;2-6,11,13H,7-10,15H2,1H3/t24-,27-;;11-,13-/m1.1/s1.

What are the key properties of benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-2-methyl-5-[[5-methyl-4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-2-methyl-5-[[5-methyl-4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 1503.96 g/mol, XLogP of 14.73, 21 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2R,5R)-5-amino-2-methylpiperidine-1-carboxylate;benzyl (2R,5R)-2-methyl-5-[[5-methyl-4-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;trimethyl-[2-[[3-[2-methylsulfonyl-5-(trifluoromethyl)pyrimidin-4-yl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 163984707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).