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

C25H36N6O3Si — CID 169112095

IUPACN-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-(2-methylpropyl)oxamide
SMILESCC(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cnc(N)c2cnn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C25H36N6O3Si/c1-18(2)15-30(16-19-9-7-6-8-10-19)25(33)24(32)29-21-14-27-23(26)20-13-28-31(22(20)21)17-34-11-12-35(3,4)5/h6-10,13-14,18H,11-12,15-17H2,1-5H3,(H2,26,27)(H,29,32)
InChIKeyKHQSPWZYRPKSRV-UHFFFAOYSA-N
MW496.69 g/mol
LogP3.95
Rot. Bonds10

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

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-(2-methylpropyl)oxamide (PubChem CID 169112095) has the molecular formula C25H36N6O3Si and a molecular weight of 496.69 g/mol. Its IUPAC name is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-(2-methylpropyl)oxamide
PubChem CID169112095
Molecular FormulaC25H36N6O3Si
Molecular Weight496.69 g/mol
Exact Mass496.26
IUPAC NameN-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-(2-methylpropyl)oxamide
SMILESCC(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cnc(N)c2cnn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C25H36N6O3Si/c1-18(2)15-30(16-19-9-7-6-8-10-19)25(33)24(32)29-21-14-27-23(26)20-13-28-31(22(20)21)17-34-11-12-35(3,4)5/h6-10,13-14,18H,11-12,15-17H2,1-5H3,(H2,26,27)(H,29,32)
InChIKeyKHQSPWZYRPKSRV-UHFFFAOYSA-N
XLogP3.95
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.69
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[(2-methylpyrazol-3-yl)methyl]oxamide
CID 169112124
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper
CID 174057068
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
CID 169111023
CID 169111772
CID 169111772
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
CID 174057206
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 174094379
[4-amino-7-[[2-[ethyl(2-methylpropyl)amino]-2-oxoacetyl]amino]pyrazolo[4,5-c]pyridin-1-yl] thiohypofluorite
CID 169114519
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,5S)-2-[3-[2-(dimethylamino)propoxy]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 174054461
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-tert-butyl-5-methylpiperidin-1-yl)-2-oxoacetamide;2-(2-tert-butyl-5-methylpiperidin-1-yl)-2-oxoacetamide
CID 174054496
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[5-methyl-2-[2-oxo-1-(2-trimethylsilylethoxymethyl)-3,4-dihydroquinolin-6-yl]piperidin-1-yl]-2-oxoacetamide
CID 169114561
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-N'-benzyl-N'-[(Z)-2-(dimethylamino)but-2-enyl]oxamide
CID 170197382
N,N-dibenzyl-N',N'-bis(2-methylpropyl)oxamide
CID 108523671

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-methylpropyl)oxamide?
The IUPAC name of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-(2-methylpropyl)oxamide (CID 169112095) is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-(2-methylpropyl)oxamide.
What is the SMILES notation for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-(2-methylpropyl)oxamide?
The canonical SMILES for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-(2-methylpropyl)oxamide is CC(C)CN(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-methylpropyl)oxamide?
The InChIKey is KHQSPWZYRPKSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O3Si/c1-18(2)15-30(16-19-9-7-6-8-10-19)25(33)24(32)29-21-14-27-23(26)20-13-28-31(22(20)21)17-34-11-12-35(3,4)5/h6-10,13-14,18H,11-12,15-17H2,1-5H3,(H2,26,27)(H,29,32).
What are the key properties of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-(2-methylpropyl)oxamide?
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-(2-methylpropyl)oxamide has a molecular weight of 496.69 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 7 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-methylpropyl)oxamide is sourced from PubChem (CID 169112095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).