N-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H31ClN6O2Si — CID 71279575

IUPACN-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ncn4cc(Cl)ccc34)nc12
InChIInChI=1S/C24H31ClN6O2Si/c1-24(2,3)29-23(32)17-13-31(15-33-9-10-34(4,5)6)22-20(17)28-18(11-26-22)21-19-8-7-16(25)12-30(19)14-27-21/h7-8,11-14H,9-10,15H2,1-6H3,(H,29,32)
InChIKeyHTKLZRTZRUBPSW-UHFFFAOYSA-N
MW499.09 g/mol
LogP5.24
Rot. Bonds7

About N-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279575) has the molecular formula C24H31ClN6O2Si and a molecular weight of 499.09 g/mol. Its IUPAC name is N-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279575
Molecular FormulaC24H31ClN6O2Si
Molecular Weight499.09 g/mol
Exact Mass498.20
IUPAC NameN-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ncn4cc(Cl)ccc34)nc12
InChIInChI=1S/C24H31ClN6O2Si/c1-24(2,3)29-23(32)17-13-31(15-33-9-10-34(4,5)6)22-20(17)28-18(11-26-22)21-19-8-7-16(25)12-30(19)14-27-21/h7-8,11-14H,9-10,15H2,1-6H3,(H,29,32)
InChIKeyHTKLZRTZRUBPSW-UHFFFAOYSA-N
XLogP5.24
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.09
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279575) is N-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ncn4cc(Cl)ccc34)nc12.
What is the InChIKey of N-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HTKLZRTZRUBPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O2Si/c1-24(2,3)29-23(32)17-13-31(15-33-9-10-34(4,5)6)22-20(17)28-18(11-26-22)21-19-8-7-16(25)12-30(19)14-27-21/h7-8,11-14H,9-10,15H2,1-6H3,(H,29,32).
What are the key properties of N-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 499.09 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(6-chloroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).