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

C24H32N6O2Si — CID 71279603

IUPACN-tert-butyl-2-imidazo[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(-c3ncn4ccccc34)nc12
InChIInChI=1S/C24H32N6O2Si/c1-24(2,3)28-23(31)17-14-30(16-32-11-12-33(4,5)6)22-20(17)27-18(13-25-22)21-19-9-7-8-10-29(19)15-26-21/h7-10,13-15H,11-12,16H2,1-6H3,(H,28,31)
InChIKeyDHJWXNFJPCZQBV-UHFFFAOYSA-N
MW464.65 g/mol
LogP4.59
Rot. Bonds7

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

N-tert-butyl-2-imidazo[1,5-a]pyridin-1-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279603) has the molecular formula C24H32N6O2Si and a molecular weight of 464.65 g/mol. Its IUPAC name is N-tert-butyl-2-imidazo[1,5-a]pyridin-1-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-imidazo[1,5-a]pyridin-1-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279603
Molecular FormulaC24H32N6O2Si
Molecular Weight464.65 g/mol
Exact Mass464.24
IUPAC NameN-tert-butyl-2-imidazo[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(-c3ncn4ccccc34)nc12
InChIInChI=1S/C24H32N6O2Si/c1-24(2,3)28-23(31)17-14-30(16-32-11-12-33(4,5)6)22-20(17)27-18(13-25-22)21-19-9-7-8-10-29(19)15-26-21/h7-10,13-15H,11-12,16H2,1-6H3,(H,28,31)
InChIKeyDHJWXNFJPCZQBV-UHFFFAOYSA-N
XLogP4.59
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 54.59
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-imidazo[1,5-a]pyridin-1-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-imidazo[1,5-a]pyridin-1-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279603) is N-tert-butyl-2-imidazo[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-imidazo[1,5-a]pyridin-1-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-imidazo[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(-c3ncn4ccccc34)nc12.
What is the InChIKey of N-tert-butyl-2-imidazo[1,5-a]pyridin-1-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is DHJWXNFJPCZQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2Si/c1-24(2,3)28-23(31)17-14-30(16-32-11-12-33(4,5)6)22-20(17)27-18(13-25-22)21-19-9-7-8-10-29(19)15-26-21/h7-10,13-15H,11-12,16H2,1-6H3,(H,28,31).
What are the key properties of N-tert-butyl-2-imidazo[1,5-a]pyridin-1-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-imidazo[1,5-a]pyridin-1-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 464.65 g/mol, XLogP of 4.59, 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-imidazo[1,5-a]pyridin-1-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).