N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide

C22H36N6O3Si — CID 169113609

IUPACN-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCC[C@H]1CC[C@H](C)CN1C(=O)C(=O)Nc1cnc(N)c2cnn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C22H36N6O3Si/c1-6-16-8-7-15(2)13-27(16)22(30)21(29)26-18-12-24-20(23)17-11-25-28(19(17)18)14-31-9-10-32(3,4)5/h11-12,15-16H,6-10,13-14H2,1-5H3,(H2,23,24)(H,26,29)/t15-,16-/m0/s1
InChIKeyURFDFXAZJZOYFP-HOTGVXAUSA-N
MW460.66 g/mol
LogP3.30
Rot. Bonds7

About N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 169113609) has the molecular formula C22H36N6O3Si and a molecular weight of 460.66 g/mol. Its IUPAC name is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID169113609
Molecular FormulaC22H36N6O3Si
Molecular Weight460.66 g/mol
Exact Mass460.26
IUPAC NameN-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCC[C@H]1CC[C@H](C)CN1C(=O)C(=O)Nc1cnc(N)c2cnn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C22H36N6O3Si/c1-6-16-8-7-15(2)13-27(16)22(30)21(29)26-18-12-24-20(23)17-11-25-28(19(17)18)14-31-9-10-32(3,4)5/h11-12,15-16H,6-10,13-14H2,1-5H3,(H2,23,24)(H,26,29)/t15-,16-/m0/s1
InChIKeyURFDFXAZJZOYFP-HOTGVXAUSA-N
XLogP3.30
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.66
LogP ≤ 53.30
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'}

Analyze N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 169113609) is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide is CC[C@H]1CC[C@H](C)CN1C(=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]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is URFDFXAZJZOYFP-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H36N6O3Si/c1-6-16-8-7-15(2)13-27(16)22(30)21(29)26-18-12-24-20(23)17-11-25-28(19(17)18)14-31-9-10-32(3,4)5/h11-12,15-16H,6-10,13-14H2,1-5H3,(H2,23,24)(H,26,29)/t15-,16-/m0/s1.
What are the key properties of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide?
N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 460.66 g/mol, XLogP of 3.30, 7 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]-2-[(2S,5S)-2-ethyl-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169113609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).