(2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C54H66Cl2F4N14O7Si2 — CID 157406879

About (2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

(2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 157406879) has the molecular formula C54H66Cl2F4N14O7Si2 and a molecular weight of 1226.28 g/mol. Its IUPAC name is (2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: (2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 157406879
• Molecular Formula: C54H66Cl2F4N14O7Si2
• Molecular Weight: 1226.28 g/mol
• Exact Mass: 1224.41
• IUPAC Name: (2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• SMILES: C[C@@H](N)C(=O)N1CC(F)(F)C1.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C(=O)N1CC(F)(F)C1.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21
• InChI: InChI=1S/C27H32ClF2N7O3Si.C21H24ClN5O3Si.C6H10F2N2O/c1-16(26(39)37-13-27(29,30)14-37)32-25(38)19-12-36(15-40-8-9-41(3,4)5)24-23(19)33-20(11-31-24)22-18-7-6-17(28)10-21(18)35(2)34-22;1-26-17-9-13(22)5-6-14(17)18(25-26)16-10-23-20-19(24-16)15(21(28)29)11-27(20)12-30-7-8-31(2,3)4;1-4(9)5(11)10-2-6(7,8)3-10/h6-7,10-12,16H,8-9,13-15H2,1-5H3,(H,32,38);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);4H,2-3,9H2,1H3/t16-;;4-/m1.1/s1
• InChIKey: BNUZLGIAHXBVFA-FNHNKMSMSA-N
• XLogP: 9.01
• TPSA: 248.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1226.28
LogP ≤ 5	9.01
H-Bond Donors ≤ 5	3
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 (2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The IUPAC name of (2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 157406879) is (2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

What is the SMILES notation for (2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The canonical SMILES for (2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is C[C@@H](N)C(=O)N1CC(F)(F)C1.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C(=O)N1CC(F)(F)C1.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21.

What is the InChIKey of (2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is BNUZLGIAHXBVFA-FNHNKMSMSA-N. The full InChI is InChI=1S/C27H32ClF2N7O3Si.C21H24ClN5O3Si.C6H10F2N2O/c1-16(26(39)37-13-27(29,30)14-37)32-25(38)19-12-36(15-40-8-9-41(3,4)5)24-23(19)33-20(11-31-24)22-18-7-6-17(28)10-21(18)35(2)34-22;1-26-17-9-13(22)5-6-14(17)18(25-26)16-10-23-20-19(24-16)15(21(28)29)11-27(20)12-30-7-8-31(2,3)4;1-4(9)5(11)10-2-6(7,8)3-10/h6-7,10-12,16H,8-9,13-15H2,1-5H3,(H,32,38);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);4H,2-3,9H2,1H3/t16-;;4-/m1.1/s1.

What are the key properties of (2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

(2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 1226.28 g/mol, XLogP of 9.01, 17 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-1-(3,3-difluoroazetidin-1-yl)propan-1-one;2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 157406879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).