benzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

C59H76FN13O6Si2 — CID 123852937

IUPACbenzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2nc(-c3nccnc3C[C@H]3CCCN(C(=O)OCc4ccccc4)C3)cnc21.C[Si](C)(C)CCOCn1ccc2nc(-c3nccnc3F)cnc21.N[C@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C30H38N6O3Si.C16H20FN5OSi.C13H18N2O2/c1-40(2,3)17-16-38-22-36-15-11-25-29(36)33-19-27(34-25)28-26(31-12-13-32-28)18-24-10-7-14-35(20-24)30(37)39-21-23-8-5-4-6-9-23;1-24(2,3)9-8-23-11-22-7-4-12-16(22)20-10-13(21-12)14-15(17)19-6-5-18-14;14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h4-6,8-9,11-13,15,19,24H,7,10,14,16-18,20-22H2,1-3H3;4-7,10H,8-9,11H2,1-3H3;1-3,5-6,12H,4,7-10,14H2/t24-;;12-/m1.0/s1
InChIKeyMPHGSEFWFVYIBZ-WDQVQXPPSA-N
MW1138.51 g/mol
LogP10.88
Rot. Bonds18

About benzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

benzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 123852937) has the molecular formula C59H76FN13O6Si2 and a molecular weight of 1138.51 g/mol. Its IUPAC name is benzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Namebenzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
PubChem CID123852937
Molecular FormulaC59H76FN13O6Si2
Molecular Weight1138.51 g/mol
Exact Mass1137.56
IUPAC Namebenzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2nc(-c3nccnc3C[C@H]3CCCN(C(=O)OCc4ccccc4)C3)cnc21.C[Si](C)(C)CCOCn1ccc2nc(-c3nccnc3F)cnc21.N[C@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C30H38N6O3Si.C16H20FN5OSi.C13H18N2O2/c1-40(2,3)17-16-38-22-36-15-11-25-29(36)33-19-27(34-25)28-26(31-12-13-32-28)18-24-10-7-14-35(20-24)30(37)39-21-23-8-5-4-6-9-23;1-24(2,3)9-8-23-11-22-7-4-12-16(22)20-10-13(21-12)14-15(17)19-6-5-18-14;14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h4-6,8-9,11-13,15,19,24H,7,10,14,16-18,20-22H2,1-3H3;4-7,10H,8-9,11H2,1-3H3;1-3,5-6,12H,4,7-10,14H2/t24-;;12-/m1.0/s1
InChIKeyMPHGSEFWFVYIBZ-WDQVQXPPSA-N
XLogP10.88
TPSA216.54 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001138.51
LogP ≤ 510.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze benzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 3-((4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate
CID 9867983
2-[1-(1-Benzyloxycarbonylpiperidin-3-yl)-ethylamino]-4-[benzimidazol-1-yl]pyrimidine
CID 15550584
benzyl 3-(7H-imidazo[1,5-c]pyrrolo[3,2-e]pyrimidin-1-yl)piperidine-1-carboxylate
CID 70983629
Benzyl 4-(7H-imidazo[1,5-c]pyrrolo[3,2-e]pyrimidin-1-yl)piperidine-1-carboxylate
CID 71264006
2-[1-(1-Benzyloxycarbonylpiperidin-4-yl)methyl-amino]-4-[benzimidazol-1-yl]pyrimidine
CID 9803404
benzyl 2-((4-(1H-benzo[d]imidazol-1-yl)pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate
CID 9867984
Benzyl 4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate
CID 12891474
benzyl (3S,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
CID 58303320
Benzyl 4,4-difluoro-3-[(6-imidazo[1,2-a]pyridin-3-ylpyrazin-2-yl)amino]piperidine-1-carboxylate
CID 58303338
rel-Phenylmethyl (3R,4R)-4-fluoro-3-[(6-imidazo[1,2-a]pyridin-3-yl-2-pyrazinyl)amino]-1-piperidinecarboxylate
CID 58303466
(S)-Benzyl (1-(6-fluoro-3-(pyridine-3-yl)imidazo[1,2-a]pyridine-2-yl)ethyl)carbamate
CID 58459359
benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate
CID 58824665

Frequently Asked Questions

What is the IUPAC name of benzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of benzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (CID 123852937) is benzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for benzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for benzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2nc(-c3nccnc3C[C@H]3CCCN(C(=O)OCc4ccccc4)C3)cnc21.C[Si](C)(C)CCOCn1ccc2nc(-c3nccnc3F)cnc21.N[C@H]1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is MPHGSEFWFVYIBZ-WDQVQXPPSA-N. The full InChI is InChI=1S/C30H38N6O3Si.C16H20FN5OSi.C13H18N2O2/c1-40(2,3)17-16-38-22-36-15-11-25-29(36)33-19-27(34-25)28-26(31-12-13-32-28)18-24-10-7-14-35(20-24)30(37)39-21-23-8-5-4-6-9-23;1-24(2,3)9-8-23-11-22-7-4-12-16(22)20-10-13(21-12)14-15(17)19-6-5-18-14;14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h4-6,8-9,11-13,15,19,24H,7,10,14,16-18,20-22H2,1-3H3;4-7,10H,8-9,11H2,1-3H3;1-3,5-6,12H,4,7-10,14H2/t24-;;12-/m1.0/s1.
What are the key properties of benzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
benzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1138.51 g/mol, XLogP of 10.88, 18 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S)-3-aminopiperidine-1-carboxylate;benzyl (3R)-3-[[3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyrazin-2-yl]methyl]piperidine-1-carboxylate;2-[[2-(3-fluoropyrazin-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 123852937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).