4-aminocyclohexan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-(4-hydroxycyclohexyl)-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

C54H72Cl2N12O7Si2 — CID 159390311

About 4-aminocyclohexan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-(4-hydroxycyclohexyl)-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

4-aminocyclohexan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-(4-hydroxycyclohexyl)-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 159390311) has the molecular formula C54H72Cl2N12O7Si2 and a molecular weight of 1128.32 g/mol. Its IUPAC name is 4-aminocyclohexan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-(4-hydroxycyclohexyl)-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: 4-aminocyclohexan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-(4-hydroxycyclohexyl)-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: 159390311
• Molecular Formula: C54H72Cl2N12O7Si2
• Molecular Weight: 1128.32 g/mol
• Exact Mass: 1126.46
• IUPAC Name: 4-aminocyclohexan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-(4-hydroxycyclohexyl)-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: Cn1nc(-c2cnc3c(n2)c(C(=O)NC2CCC(O)CC2)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21.NC1CCC(O)CC1
• InChI: InChI=1S/C27H35ClN6O3Si.C21H24ClN5O3Si.C6H13NO/c1-33-23-13-17(28)5-10-20(23)24(32-33)22-14-29-26-25(31-22)21(15-34(26)16-37-11-12-38(2,3)4)27(36)30-18-6-8-19(35)9-7-18;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;7-5-1-3-6(8)4-2-5/h5,10,13-15,18-19,35H,6-9,11-12,16H2,1-4H3,(H,30,36);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);5-6,8H,1-4,7H2
• InChIKey: LMAIYLIBGZKGHG-UHFFFAOYSA-N
• XLogP: 9.88
• TPSA: 248.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1128.32
LogP ≤ 5	9.88
H-Bond Donors ≤ 5	5
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 4-aminocyclohexan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-(4-hydroxycyclohexyl)-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 4-aminocyclohexan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-(4-hydroxycyclohexyl)-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 159390311) is 4-aminocyclohexan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-(4-hydroxycyclohexyl)-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 4-aminocyclohexan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-(4-hydroxycyclohexyl)-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 4-aminocyclohexan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-(4-hydroxycyclohexyl)-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 Cn1nc(-c2cnc3c(n2)c(C(=O)NC2CCC(O)CC2)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21.NC1CCC(O)CC1.

What is the InChIKey of 4-aminocyclohexan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-(4-hydroxycyclohexyl)-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 LMAIYLIBGZKGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN6O3Si.C21H24ClN5O3Si.C6H13NO/c1-33-23-13-17(28)5-10-20(23)24(32-33)22-14-29-26-25(31-22)21(15-34(26)16-37-11-12-38(2,3)4)27(36)30-18-6-8-19(35)9-7-18;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;7-5-1-3-6(8)4-2-5/h5,10,13-15,18-19,35H,6-9,11-12,16H2,1-4H3,(H,30,36);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);5-6,8H,1-4,7H2.

What are the key properties of 4-aminocyclohexan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-(4-hydroxycyclohexyl)-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?

4-aminocyclohexan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-(4-hydroxycyclohexyl)-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 1128.32 g/mol, XLogP of 9.88, 15 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminocyclohexan-1-ol;2-(6-chloro-1-methylindazol-3-yl)-N-(4-hydroxycyclohexyl)-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 159390311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).