2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H30ClFN6O3Si — CID 71288161

About 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288161) has the molecular formula C24H30ClFN6O3Si and a molecular weight of 533.08 g/mol. Its IUPAC name is 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71288161
• Molecular Formula: C24H30ClFN6O3Si
• Molecular Weight: 533.08 g/mol
• Exact Mass: 532.18
• IUPAC Name: 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: COC[C@H](C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nc(Cl)n4cc(F)ccc34)nc12
• InChI: InChI=1S/C24H30ClFN6O3Si/c1-15(13-34-2)28-23(33)17-12-31(14-35-8-9-36(3,4)5)22-20(17)29-18(10-27-22)21-19-7-6-16(26)11-32(19)24(25)30-21/h6-7,10-12,15H,8-9,13-14H2,1-5H3,(H,28,33)/t15-/m0/s1
• InChIKey: XWPIHKWNQYZJNI-HNNXBMFYSA-N
• XLogP: 4.62
• TPSA: 95.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.08
LogP ≤ 5	4.62
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-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288161) is 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is COC[C@H](C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nc(Cl)n4cc(F)ccc34)nc12.

What is the InChIKey of 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is XWPIHKWNQYZJNI-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H30ClFN6O3Si/c1-15(13-34-2)28-23(33)17-12-31(14-35-8-9-36(3,4)5)22-20(17)29-18(10-27-22)21-19-7-6-16(26)11-32(19)24(25)30-21/h6-7,10-12,15H,8-9,13-14H2,1-5H3,(H,28,33)/t15-/m0/s1.

What are the key properties of 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 533.08 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).