N-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide

C24H30N4O4Si — CID 71601691

IUPACN-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CCc2ccc(Oc3cnc4c(n3)c(C=O)cn4COCC[Si](C)(C)C)cc21
InChIInChI=1S/C24H30N4O4Si/c1-16(30)26-21-8-6-17-5-7-19(11-20(17)21)32-22-12-25-24-23(27-22)18(14-29)13-28(24)15-31-9-10-33(2,3)4/h5,7,11-14,21H,6,8-10,15H2,1-4H3,(H,26,30)/t21-/m1/s1
InChIKeyIOKVXJOPLZISLI-OAQYLSRUSA-N
MW466.61 g/mol
LogP4.47
Rot. Bonds9

About N-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide

N-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 71601691) has the molecular formula C24H30N4O4Si and a molecular weight of 466.61 g/mol. Its IUPAC name is N-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID71601691
Molecular FormulaC24H30N4O4Si
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC NameN-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CCc2ccc(Oc3cnc4c(n3)c(C=O)cn4COCC[Si](C)(C)C)cc21
InChIInChI=1S/C24H30N4O4Si/c1-16(30)26-21-8-6-17-5-7-19(11-20(17)21)32-22-12-25-24-23(27-22)18(14-29)13-28(24)15-31-9-10-33(2,3)4/h5,7,11-14,21H,6,8-10,15H2,1-4H3,(H,26,30)/t21-/m1/s1
InChIKeyIOKVXJOPLZISLI-OAQYLSRUSA-N
XLogP4.47
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 54.47
H-Bond Donors ≤ 51
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 N-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of N-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide (CID 71601691) is N-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for N-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide is CC(=O)N[C@@H]1CCc2ccc(Oc3cnc4c(n3)c(C=O)cn4COCC[Si](C)(C)C)cc21.
What is the InChIKey of N-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is IOKVXJOPLZISLI-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N4O4Si/c1-16(30)26-21-8-6-17-5-7-19(11-20(17)21)32-22-12-25-24-23(27-22)18(14-29)13-28(24)15-31-9-10-33(2,3)4/h5,7,11-14,21H,6,8-10,15H2,1-4H3,(H,26,30)/t21-/m1/s1.
What are the key properties of N-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide?
N-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 466.61 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-6-[7-formyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]oxy-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 71601691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).