2-(6-chloro-1-methylindazol-3-yl)-N-propan-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;propan-2-amine

C48H64Cl2N12O5Si2 — CID 157169166

About 2-(6-chloro-1-methylindazol-3-yl)-N-propan-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;propan-2-amine

2-(6-chloro-1-methylindazol-3-yl)-N-propan-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;propan-2-amine (PubChem CID 157169166) has the molecular formula C48H64Cl2N12O5Si2 and a molecular weight of 1016.20 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-propan-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;propan-2-amine.

Molecular Properties

• Compound Name: 2-(6-chloro-1-methylindazol-3-yl)-N-propan-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;propan-2-amine
• PubChem CID: 157169166
• Molecular Formula: C48H64Cl2N12O5Si2
• Molecular Weight: 1016.20 g/mol
• Exact Mass: 1014.40
• IUPAC Name: 2-(6-chloro-1-methylindazol-3-yl)-N-propan-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;propan-2-amine
• SMILES: CC(C)N.CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21
• InChI: InChI=1S/C24H31ClN6O2Si.C21H24ClN5O3Si.C3H9N/c1-15(2)27-24(32)18-13-31(14-33-9-10-34(4,5)6)23-22(18)28-19(12-26-23)21-17-8-7-16(25)11-20(17)30(3)29-21;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;1-3(2)4/h7-8,11-13,15H,9-10,14H2,1-6H3,(H,27,32);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);3H,4H2,1-2H3
• InChIKey: ANGIKJFNHSNOQA-UHFFFAOYSA-N
• XLogP: 10.09
• TPSA: 207.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1016.20
LogP ≤ 5	10.09
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-propan-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;propan-2-amine?

The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-propan-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;propan-2-amine (CID 157169166) is 2-(6-chloro-1-methylindazol-3-yl)-N-propan-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;propan-2-amine.

What is the SMILES notation for 2-(6-chloro-1-methylindazol-3-yl)-N-propan-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;propan-2-amine?

The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-propan-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;propan-2-amine is CC(C)N.CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12.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-propan-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;propan-2-amine?

The InChIKey is ANGIKJFNHSNOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O2Si.C21H24ClN5O3Si.C3H9N/c1-15(2)27-24(32)18-13-31(14-33-9-10-34(4,5)6)23-22(18)28-19(12-26-23)21-17-8-7-16(25)11-20(17)30(3)29-21;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;1-3(2)4/h7-8,11-13,15H,9-10,14H2,1-6H3,(H,27,32);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);3H,4H2,1-2H3.

What are the key properties of 2-(6-chloro-1-methylindazol-3-yl)-N-propan-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;propan-2-amine?

2-(6-chloro-1-methylindazol-3-yl)-N-propan-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;propan-2-amine has a molecular weight of 1016.20 g/mol, XLogP of 10.09, 15 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-propan-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;propan-2-amine is sourced from PubChem (CID 157169166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).