2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

C20H22FN5O2Si — CID 86677908

IUPAC2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cc(C=O)c2nc(-c3ncn4cc(F)ccc34)cnc21
InChIInChI=1S/C20H22FN5O2Si/c1-29(2,3)7-6-28-13-26-9-14(11-27)18-20(26)22-8-16(24-18)19-17-5-4-15(21)10-25(17)12-23-19/h4-5,8-12H,6-7,13H2,1-3H3
InChIKeyPXBYPPDPTPHAAR-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.01
Rot. Bonds7

About 2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 86677908) has the molecular formula C20H22FN5O2Si and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.

Molecular Properties

Compound Name2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
PubChem CID86677908
Molecular FormulaC20H22FN5O2Si
Molecular Weight411.51 g/mol
Exact Mass411.15
IUPAC Name2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESC[Si](C)(C)CCOCn1cc(C=O)c2nc(-c3ncn4cc(F)ccc34)cnc21
InChIInChI=1S/C20H22FN5O2Si/c1-29(2,3)7-6-28-13-26-9-14(11-27)18-20(26)22-8-16(24-18)19-17-5-4-15(21)10-25(17)12-23-19/h4-5,8-12H,6-7,13H2,1-3H3
InChIKeyPXBYPPDPTPHAAR-UHFFFAOYSA-N
XLogP4.01
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The IUPAC name of 2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (CID 86677908) is 2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.
What is the SMILES notation for 2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The canonical SMILES for 2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is C[Si](C)(C)CCOCn1cc(C=O)c2nc(-c3ncn4cc(F)ccc34)cnc21.
What is the InChIKey of 2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The InChIKey is PXBYPPDPTPHAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2Si/c1-29(2,3)7-6-28-13-26-9-14(11-27)18-20(26)22-8-16(24-18)19-17-5-4-15(21)10-25(17)12-23-19/h4-5,8-12H,6-7,13H2,1-3H3.
What are the key properties of 2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde has a molecular weight of 411.51 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 86677908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).