N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide

C26H34N8O3Si — CID 169112124

IUPACN-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide
SMILESCn1nccc1CN(Cc1ccccc1)C(=O)C(=O)Nc1cnc(N)c2cnn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C26H34N8O3Si/c1-32-20(10-11-29-32)17-33(16-19-8-6-5-7-9-19)26(36)25(35)31-22-15-28-24(27)21-14-30-34(23(21)22)18-37-12-13-38(2,3)4/h5-11,14-15H,12-13,16-18H2,1-4H3,(H2,27,28)(H,31,35)
InChIKeyUAAGVCNDHFXPRR-UHFFFAOYSA-N
MW534.70 g/mol
LogP3.23
Rot. Bonds10

About N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide (PubChem CID 169112124) has the molecular formula C26H34N8O3Si and a molecular weight of 534.70 g/mol. Its IUPAC name is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide
PubChem CID169112124
Molecular FormulaC26H34N8O3Si
Molecular Weight534.70 g/mol
Exact Mass534.25
IUPAC NameN-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide
SMILESCn1nccc1CN(Cc1ccccc1)C(=O)C(=O)Nc1cnc(N)c2cnn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C26H34N8O3Si/c1-32-20(10-11-29-32)17-33(16-19-8-6-5-7-9-19)26(36)25(35)31-22-15-28-24(27)21-14-30-34(23(21)22)18-37-12-13-38(2,3)4/h5-11,14-15H,12-13,16-18H2,1-4H3,(H2,27,28)(H,31,35)
InChIKeyUAAGVCNDHFXPRR-UHFFFAOYSA-N
XLogP3.23
TPSA133.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.70
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide?
The IUPAC name of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide (CID 169112124) is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide.
What is the SMILES notation for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide?
The canonical SMILES for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide is Cn1nccc1CN(Cc1ccccc1)C(=O)C(=O)Nc1cnc(N)c2cnn(COCC[Si](C)(C)C)c12.
What is the InChIKey of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide?
The InChIKey is UAAGVCNDHFXPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O3Si/c1-32-20(10-11-29-32)17-33(16-19-8-6-5-7-9-19)26(36)25(35)31-22-15-28-24(27)21-14-30-34(23(21)22)18-37-12-13-38(2,3)4/h5-11,14-15H,12-13,16-18H2,1-4H3,(H2,27,28)(H,31,35).
What are the key properties of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide?
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide has a molecular weight of 534.70 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide is sourced from PubChem (CID 169112124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).