tert-butyl (3S)-3-[(4-chloro-5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[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-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C63H91ClN16O6S2Si2 — CID 163451296

About tert-butyl (3S)-3-[(4-chloro-5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[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-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

tert-butyl (3S)-3-[(4-chloro-5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[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-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 163451296) has the molecular formula C63H91ClN16O6S2Si2 and a molecular weight of 1324.29 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(4-chloro-5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[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-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-[(4-chloro-5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[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-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• PubChem CID: 163451296
• Molecular Formula: C63H91ClN16O6S2Si2
• Molecular Weight: 1324.29 g/mol
• Exact Mass: 1322.60
• IUPAC Name: tert-butyl (3S)-3-[(4-chloro-5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[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-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• SMILES: Cc1cnc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1Cl.Cc1nnc(-c2ccc3c(-c4nc(N[C@H]5CCCN(C(=O)OC(C)(C)C)C5)ncc4C)cn(COCC[Si](C)(C)C)c3n2)s1.Cc1nnc(-c2ccc3c(C)cn(COCC[Si](C)(C)C)c3n2)s1
• InChI: InChI=1S/C31H44N8O3SSi.C17H24N4OSSi.C15H23ClN4O2/c1-20-16-32-29(33-22-10-9-13-38(17-22)30(40)42-31(3,4)5)35-26(20)24-18-39(19-41-14-15-44(6,7)8)27-23(24)11-12-25(34-27)28-37-36-21(2)43-28;1-12-10-21(11-22-8-9-24(3,4)5)16-14(12)6-7-15(18-16)17-20-19-13(2)23-17;1-10-8-17-13(19-12(10)16)18-11-6-5-7-20(9-11)14(21)22-15(2,3)4/h11-12,16,18,22H,9-10,13-15,17,19H2,1-8H3,(H,32,33,35);6-7,10H,8-9,11H2,1-5H3;8,11H,5-7,9H2,1-4H3,(H,17,18,19)/t22-;;11-/m0.0/s1
• InChIKey: BGVDRZDICLYOSK-CUJXIQBVSA-N
• XLogP: 14.49
• TPSA: 240.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1324.29
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

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 (3S)-3-[(4-chloro-5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[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-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The IUPAC name of tert-butyl (3S)-3-[(4-chloro-5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[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-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 163451296) is tert-butyl (3S)-3-[(4-chloro-5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[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-methyl-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 tert-butyl (3S)-3-[(4-chloro-5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[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-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The canonical SMILES for tert-butyl (3S)-3-[(4-chloro-5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[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-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is Cc1cnc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1Cl.Cc1nnc(-c2ccc3c(-c4nc(N[C@H]5CCCN(C(=O)OC(C)(C)C)C5)ncc4C)cn(COCC[Si](C)(C)C)c3n2)s1.Cc1nnc(-c2ccc3c(C)cn(COCC[Si](C)(C)C)c3n2)s1.

What is the InChIKey of tert-butyl (3S)-3-[(4-chloro-5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[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-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The InChIKey is BGVDRZDICLYOSK-CUJXIQBVSA-N. The full InChI is InChI=1S/C31H44N8O3SSi.C17H24N4OSSi.C15H23ClN4O2/c1-20-16-32-29(33-22-10-9-13-38(17-22)30(40)42-31(3,4)5)35-26(20)24-18-39(19-41-14-15-44(6,7)8)27-23(24)11-12-25(34-27)28-37-36-21(2)43-28;1-12-10-21(11-22-8-9-24(3,4)5)16-14(12)6-7-15(18-16)17-20-19-13(2)23-17;1-10-8-17-13(19-12(10)16)18-11-6-5-7-20(9-11)14(21)22-15(2,3)4/h11-12,16,18,22H,9-10,13-15,17,19H2,1-8H3,(H,32,33,35);6-7,10H,8-9,11H2,1-5H3;8,11H,5-7,9H2,1-4H3,(H,17,18,19)/t22-;;11-/m0.0/s1.

What are the key properties of tert-butyl (3S)-3-[(4-chloro-5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[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-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

tert-butyl (3S)-3-[(4-chloro-5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[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-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 1324.29 g/mol, XLogP of 14.49, 17 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-[(4-chloro-5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[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-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 163451296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).