2-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-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;(1S)-1-cyclopropylethanamine

C52H68Cl2N12O5Si2 — CID 160712462

About 2-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-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;(1S)-1-cyclopropylethanamine

2-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-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;(1S)-1-cyclopropylethanamine (PubChem CID 160712462) has the molecular formula C52H68Cl2N12O5Si2 and a molecular weight of 1068.27 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-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;(1S)-1-cyclopropylethanamine.

Molecular Properties

• Compound Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-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;(1S)-1-cyclopropylethanamine
• PubChem CID: 160712462
• Molecular Formula: C52H68Cl2N12O5Si2
• Molecular Weight: 1068.27 g/mol
• Exact Mass: 1066.44
• IUPAC Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-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;(1S)-1-cyclopropylethanamine
• SMILES: C[C@H](N)C1CC1.C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C1CC1.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21
• InChI: InChI=1S/C26H33ClN6O2Si.C21H24ClN5O3Si.C5H11N/c1-16(17-6-7-17)29-26(34)20-14-33(15-35-10-11-36(3,4)5)25-24(20)30-21(13-28-25)23-19-9-8-18(27)12-22(19)32(2)31-23;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(6)5-2-3-5/h8-9,12-14,16-17H,6-7,10-11,15H2,1-5H3,(H,29,34);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);4-5H,2-3,6H2,1H3/t16-;;4-/m0.0/s1
• InChIKey: RSAQPSJZSMAIMT-WRDDVEANSA-N
• XLogP: 10.87
• TPSA: 207.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1068.27
LogP ≤ 5	10.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

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-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-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;(1S)-1-cyclopropylethanamine?

The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-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;(1S)-1-cyclopropylethanamine (CID 160712462) is 2-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-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;(1S)-1-cyclopropylethanamine.

What is the SMILES notation for 2-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-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;(1S)-1-cyclopropylethanamine?

The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-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;(1S)-1-cyclopropylethanamine is C[C@H](N)C1CC1.C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C1CC1.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21.

What is the InChIKey of 2-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-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;(1S)-1-cyclopropylethanamine?

The InChIKey is RSAQPSJZSMAIMT-WRDDVEANSA-N. The full InChI is InChI=1S/C26H33ClN6O2Si.C21H24ClN5O3Si.C5H11N/c1-16(17-6-7-17)29-26(34)20-14-33(15-35-10-11-36(3,4)5)25-24(20)30-21(13-28-25)23-19-9-8-18(27)12-22(19)32(2)31-23;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(6)5-2-3-5/h8-9,12-14,16-17H,6-7,10-11,15H2,1-5H3,(H,29,34);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);4-5H,2-3,6H2,1H3/t16-;;4-/m0.0/s1.

What are the key properties of 2-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-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;(1S)-1-cyclopropylethanamine?

2-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-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;(1S)-1-cyclopropylethanamine has a molecular weight of 1068.27 g/mol, XLogP of 10.87, 17 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-1-methylindazol-3-yl)-N-[(1S)-1-cyclopropylethyl]-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;(1S)-1-cyclopropylethanamine is sourced from PubChem (CID 160712462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).