2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole

C65H79BrCl4N16O6Si2 — CID 161103701

About 2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole

2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole (PubChem CID 161103701) has the molecular formula C65H79BrCl4N16O6Si2 and a molecular weight of 1458.34 g/mol. Its IUPAC name is 2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole.

Molecular Properties

• Compound Name: 2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole
• PubChem CID: 161103701
• Molecular Formula: C65H79BrCl4N16O6Si2
• Molecular Weight: 1458.34 g/mol
• Exact Mass: 1454.38
• IUPAC Name: 2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole
• SMILES: C[Si](C)(C)CCOCn1cc(C(=O)N[C@@H](C(=O)N2CCC(C#N)CC2)C2CC2)c2nc(Br)cnc21.Cc1nn(C)c2cc(Cl)c(Cl)cc12.Cn1nc(-c2cnc3c(n2)c(C(=O)N[C@@H](C(=O)N2CCC(C#N)CC2)C2CC2)cn3COCC[Si](C)(C)C)c2cc(Cl)c(Cl)cc21
• InChI: InChI=1S/C32H38Cl2N8O3Si.C24H33BrN6O3Si.C9H8Cl2N2/c1-40-26-14-24(34)23(33)13-21(26)28(39-40)25-16-36-30-29(37-25)22(17-42(30)18-45-11-12-46(2,3)4)31(43)38-27(20-5-6-20)32(44)41-9-7-19(15-35)8-10-41;1-35(2,3)11-10-34-15-31-14-18(21-22(31)27-13-19(25)28-21)23(32)29-20(17-4-5-17)24(33)30-8-6-16(12-26)7-9-30;1-5-6-3-7(10)8(11)4-9(6)13(2)12-5/h13-14,16-17,19-20,27H,5-12,18H2,1-4H3,(H,38,43);13-14,16-17,20H,4-11,15H2,1-3H3,(H,29,32);3-4H,1-2H3/t27-;20-;/m11./s1
• InChIKey: UITRRNDDHADUTP-UUJQFWIXSA-N
• XLogP: 12.84
• TPSA: 261.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1458.34
LogP ≤ 5	12.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

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 2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole?

The IUPAC name of 2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole (CID 161103701) is 2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole.

What is the SMILES notation for 2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole?

The canonical SMILES for 2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole is C[Si](C)(C)CCOCn1cc(C(=O)N[C@@H](C(=O)N2CCC(C#N)CC2)C2CC2)c2nc(Br)cnc21.Cc1nn(C)c2cc(Cl)c(Cl)cc12.Cn1nc(-c2cnc3c(n2)c(C(=O)N[C@@H](C(=O)N2CCC(C#N)CC2)C2CC2)cn3COCC[Si](C)(C)C)c2cc(Cl)c(Cl)cc21.

What is the InChIKey of 2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole?

The InChIKey is UITRRNDDHADUTP-UUJQFWIXSA-N. The full InChI is InChI=1S/C32H38Cl2N8O3Si.C24H33BrN6O3Si.C9H8Cl2N2/c1-40-26-14-24(34)23(33)13-21(26)28(39-40)25-16-36-30-29(37-25)22(17-42(30)18-45-11-12-46(2,3)4)31(43)38-27(20-5-6-20)32(44)41-9-7-19(15-35)8-10-41;1-35(2,3)11-10-34-15-31-14-18(21-22(31)27-13-19(25)28-21)23(32)29-20(17-4-5-17)24(33)30-8-6-16(12-26)7-9-30;1-5-6-3-7(10)8(11)4-9(6)13(2)12-5/h13-14,16-17,19-20,27H,5-12,18H2,1-4H3,(H,38,43);13-14,16-17,20H,4-11,15H2,1-3H3,(H,29,32);3-4H,1-2H3/t27-;20-;/m11./s1.

What are the key properties of 2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole?

2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole has a molecular weight of 1458.34 g/mol, XLogP of 12.84, 19 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(1R)-2-(4-cyanopiperidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(5,6-dichloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5,6-dichloro-1,3-dimethylindazole is sourced from PubChem (CID 161103701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).