2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C28H37ClFN7O2Si — CID 71286055

About 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71286055) has the molecular formula C28H37ClFN7O2Si and a molecular weight of 586.19 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71286055
• Molecular Formula: C28H37ClFN7O2Si
• Molecular Weight: 586.19 g/mol
• Exact Mass: 585.25
• IUPAC Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: C[C@H](CN1CC[C@@H](F)C1)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12
• InChI: InChI=1S/C28H37ClFN7O2Si/c1-18(14-36-9-8-20(30)15-36)32-28(38)22-16-37(17-39-10-11-40(3,4)5)27-26(22)33-23(13-31-27)25-21-7-6-19(29)12-24(21)35(2)34-25/h6-7,12-13,16,18,20H,8-11,14-15,17H2,1-5H3,(H,32,38)/t18-,20-/m1/s1
• InChIKey: JYZLKTYOARQREH-UYAOXDASSA-N
• XLogP: 5.11
• TPSA: 90.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.19
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71286055) is 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@H](CN1CC[C@@H](F)C1)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12.

What is the InChIKey of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is JYZLKTYOARQREH-UYAOXDASSA-N. The full InChI is InChI=1S/C28H37ClFN7O2Si/c1-18(14-36-9-8-20(30)15-36)32-28(38)22-16-37(17-39-10-11-40(3,4)5)27-26(22)33-23(13-31-27)25-21-7-6-19(29)12-24(21)35(2)34-25/h6-7,12-13,16,18,20H,8-11,14-15,17H2,1-5H3,(H,32,38)/t18-,20-/m1/s1.

What are the key properties of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 586.19 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-[(3R)-3-fluoropyrrolidin-1-yl]propan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71286055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).