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

C27H32ClN7O2Si — CID 86677960

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

2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-1-(2-cyanocyclopropyl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 86677960) has the molecular formula C27H32ClN7O2Si and a molecular weight of 550.14 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-1-(2-cyanocyclopropyl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-1-(2-cyanocyclopropyl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 86677960
• Molecular Formula: C27H32ClN7O2Si
• Molecular Weight: 550.14 g/mol
• Exact Mass: 549.21
• IUPAC Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-1-(2-cyanocyclopropyl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C1CC1C#N
• InChI: InChI=1S/C27H32ClN7O2Si/c1-16(20-10-17(20)12-29)31-27(36)21-14-35(15-37-8-9-38(3,4)5)26-25(21)32-22(13-30-26)24-19-7-6-18(28)11-23(19)34(2)33-24/h6-7,11,13-14,16-17,20H,8-10,15H2,1-5H3,(H,31,36)/t16-,17?,20?/m1/s1
• InChIKey: LDOWGWQBKOFWFH-ZRZPHAQCSA-N
• XLogP: 5.23
• TPSA: 110.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.14
LogP ≤ 5	5.23
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-[(1R)-1-(2-cyanocyclopropyl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-1-(2-cyanocyclopropyl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 86677960) is 2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-1-(2-cyanocyclopropyl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

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

The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-1-(2-cyanocyclopropyl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C1CC1C#N.

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

The InChIKey is LDOWGWQBKOFWFH-ZRZPHAQCSA-N. The full InChI is InChI=1S/C27H32ClN7O2Si/c1-16(20-10-17(20)12-29)31-27(36)21-14-35(15-37-8-9-38(3,4)5)26-25(21)32-22(13-30-26)24-19-7-6-18(28)11-23(19)34(2)33-24/h6-7,11,13-14,16-17,20H,8-10,15H2,1-5H3,(H,31,36)/t16-,17?,20?/m1/s1.

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

2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-1-(2-cyanocyclopropyl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 550.14 g/mol, XLogP of 5.23, 9 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-[(1R)-1-(2-cyanocyclopropyl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 86677960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).