2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H30F2N6O3Si — CID 71288189

IUPAC2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ncn4cc(F)cc(F)c34)nc12
InChIInChI=1S/C24H30F2N6O3Si/c1-15(12-34-2)29-24(33)17-11-32(14-35-6-7-36(3,4)5)23-20(17)30-19(9-27-23)21-22-18(26)8-16(25)10-31(22)13-28-21/h8-11,13,15H,6-7,12,14H2,1-5H3,(H,29,33)/t15-/m0/s1
InChIKeyYJSIPMFGFGKMJX-HNNXBMFYSA-N
MW516.63 g/mol
LogP4.10
Rot. Bonds10

About 2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288189) has the molecular formula C24H30F2N6O3Si and a molecular weight of 516.63 g/mol. Its IUPAC name is 2-(6,8-difluoroimidazo[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 Name2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71288189
Molecular FormulaC24H30F2N6O3Si
Molecular Weight516.63 g/mol
Exact Mass516.21
IUPAC Name2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOC[C@H](C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ncn4cc(F)cc(F)c34)nc12
InChIInChI=1S/C24H30F2N6O3Si/c1-15(12-34-2)29-24(33)17-11-32(14-35-6-7-36(3,4)5)23-20(17)30-19(9-27-23)21-22-18(26)8-16(25)10-31(22)13-28-21/h8-11,13,15H,6-7,12,14H2,1-5H3,(H,29,33)/t15-/m0/s1
InChIKeyYJSIPMFGFGKMJX-HNNXBMFYSA-N
XLogP4.10
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.63
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-difluoroimidazo[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-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288189) is 2-(6,8-difluoroimidazo[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-(6,8-difluoroimidazo[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-(6,8-difluoroimidazo[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(-c3ncn4cc(F)cc(F)c34)nc12.
What is the InChIKey of 2-(6,8-difluoroimidazo[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 YJSIPMFGFGKMJX-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H30F2N6O3Si/c1-15(12-34-2)29-24(33)17-11-32(14-35-6-7-36(3,4)5)23-20(17)30-19(9-27-23)21-22-18(26)8-16(25)10-31(22)13-28-21/h8-11,13,15H,6-7,12,14H2,1-5H3,(H,29,33)/t15-/m0/s1.
What are the key properties of 2-(6,8-difluoroimidazo[1,5-a]pyridin-1-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6,8-difluoroimidazo[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 516.63 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-difluoroimidazo[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 71288189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).