tert-butyl 3-[[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]piperidine-1-carboxylate;2-cyclopropyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C60H89N13O10SSi2 — CID 157214052

About tert-butyl 3-[[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]piperidine-1-carboxylate;2-cyclopropyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

tert-butyl 3-[[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]piperidine-1-carboxylate;2-cyclopropyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 157214052) has the molecular formula C60H89N13O10SSi2 and a molecular weight of 1240.69 g/mol. Its IUPAC name is tert-butyl 3-[[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]piperidine-1-carboxylate;2-cyclopropyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl 3-[[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]piperidine-1-carboxylate;2-cyclopropyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 157214052
• Molecular Formula: C60H89N13O10SSi2
• Molecular Weight: 1240.69 g/mol
• Exact Mass: 1239.61
• IUPAC Name: tert-butyl 3-[[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]piperidine-1-carboxylate;2-cyclopropyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCCC(CNC(=O)c2cn(COCC[Si](C)(C)C)c3ncc(C4CC4)nc23)C1.CS(=O)(=O)N1CCCC(CNC(=O)c2c[nH]c3ncc(C4CC4)nc23)C1.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(C3CC3)cnc21
• InChI: InChI=1S/C27H43N5O4Si.C17H23N5O3S.C16H23N3O3Si/c1-27(2,3)36-26(34)31-11-7-8-19(16-31)14-29-25(33)21-17-32(18-35-12-13-37(4,5)6)24-23(21)30-22(15-28-24)20-9-10-20;1-26(24,25)22-6-2-3-11(10-22)7-20-17(23)13-8-18-16-15(13)21-14(9-19-16)12-4-5-12;1-23(2,3)7-6-22-10-19-9-12(16(20)21)14-15(19)17-8-13(18-14)11-4-5-11/h15,17,19-20H,7-14,16,18H2,1-6H3,(H,29,33);8-9,11-12H,2-7,10H2,1H3,(H,18,19)(H,20,23);8-9,11H,4-7,10H2,1-3H3,(H,20,21)
• InChIKey: ASFDKAFXPXBANL-UHFFFAOYSA-N
• XLogP: 9.55
• TPSA: 283.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1240.69
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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 3-[[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]piperidine-1-carboxylate;2-cyclopropyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The IUPAC name of tert-butyl 3-[[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]piperidine-1-carboxylate;2-cyclopropyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 157214052) is tert-butyl 3-[[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]piperidine-1-carboxylate;2-cyclopropyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

What is the SMILES notation for tert-butyl 3-[[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]piperidine-1-carboxylate;2-cyclopropyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The canonical SMILES for tert-butyl 3-[[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]piperidine-1-carboxylate;2-cyclopropyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is CC(C)(C)OC(=O)N1CCCC(CNC(=O)c2cn(COCC[Si](C)(C)C)c3ncc(C4CC4)nc23)C1.CS(=O)(=O)N1CCCC(CNC(=O)c2c[nH]c3ncc(C4CC4)nc23)C1.C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(C3CC3)cnc21.

What is the InChIKey of tert-butyl 3-[[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]piperidine-1-carboxylate;2-cyclopropyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is ASFDKAFXPXBANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N5O4Si.C17H23N5O3S.C16H23N3O3Si/c1-27(2,3)36-26(34)31-11-7-8-19(16-31)14-29-25(33)21-17-32(18-35-12-13-37(4,5)6)24-23(21)30-22(15-28-24)20-9-10-20;1-26(24,25)22-6-2-3-11(10-22)7-20-17(23)13-8-18-16-15(13)21-14(9-19-16)12-4-5-12;1-23(2,3)7-6-22-10-19-9-12(16(20)21)14-15(19)17-8-13(18-14)11-4-5-11/h15,17,19-20H,7-14,16,18H2,1-6H3,(H,29,33);8-9,11-12H,2-7,10H2,1H3,(H,18,19)(H,20,23);8-9,11H,4-7,10H2,1-3H3,(H,20,21).

What are the key properties of tert-butyl 3-[[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]piperidine-1-carboxylate;2-cyclopropyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

tert-butyl 3-[[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]piperidine-1-carboxylate;2-cyclopropyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 1240.69 g/mol, XLogP of 9.55, 21 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]methyl]piperidine-1-carboxylate;2-cyclopropyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 157214052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).