2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C27H37ClFN7O2Si — CID 71280219

About 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71280219) has the molecular formula C27H37ClFN7O2Si and a molecular weight of 574.18 g/mol. Its IUPAC name is 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71280219
• Molecular Formula: C27H37ClFN7O2Si
• Molecular Weight: 574.18 g/mol
• Exact Mass: 573.25
• IUPAC Name: 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCN(C)C)c4cc(Cl)cc(F)c34)nc12
• InChI: InChI=1S/C27H37ClFN7O2Si/c1-7-8-30-27(37)19-16-35(17-38-11-12-39(4,5)6)26-24(19)32-21(15-31-26)25-23-20(29)13-18(28)14-22(23)36(33-25)10-9-34(2)3/h13-16H,7-12,17H2,1-6H3,(H,30,37)
• InChIKey: KSTCLVNUONJNFP-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 90.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.18
LogP ≤ 5	5.25
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-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71280219) is 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCN(C)C)c4cc(Cl)cc(F)c34)nc12.

What is the InChIKey of 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is KSTCLVNUONJNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClFN7O2Si/c1-7-8-30-27(37)19-16-35(17-38-11-12-39(4,5)6)26-24(19)32-21(15-31-26)25-23-20(29)13-18(28)14-22(23)36(33-25)10-9-34(2)3/h13-16H,7-12,17H2,1-6H3,(H,30,37).

What are the key properties of 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 574.18 g/mol, XLogP of 5.25, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71280219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).