N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C26H29N5O3Si — CID 140781358

IUPACN-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)c2[nH]nc3ncccc23)cc1
InChIInChI=1S/C26H29N5O3Si/c1-31(26(33)22-21-7-6-16-27-24(21)30-29-22)23(17-8-12-19(34-2)13-9-17)25(32)28-18-10-14-20(15-11-18)35(3,4)5/h6-16,23H,1-5H3,(H,28,32)(H,27,29,30)
InChIKeyGYJVTCZJMNMDNP-UHFFFAOYSA-N
MW487.64 g/mol
LogP3.96
Rot. Bonds7

About N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 140781358) has the molecular formula C26H29N5O3Si and a molecular weight of 487.64 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID140781358
Molecular FormulaC26H29N5O3Si
Molecular Weight487.64 g/mol
Exact Mass487.20
IUPAC NameN-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCOc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)c2[nH]nc3ncccc23)cc1
InChIInChI=1S/C26H29N5O3Si/c1-31(26(33)22-21-7-6-16-27-24(21)30-29-22)23(17-8-12-19(34-2)13-9-17)25(32)28-18-10-14-20(15-11-18)35(3,4)5/h6-16,23H,1-5H3,(H,28,32)(H,27,29,30)
InChIKeyGYJVTCZJMNMDNP-UHFFFAOYSA-N
XLogP3.96
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.64
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-2-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781408
2-(4-methoxyphenyl)-2-[methyl-(2-pyridin-3-ylacetyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781161
2-(4-methoxyphenyl)-2-[methyl(prop-2-enyl)amino]-N-(4-trimethylsilylphenyl)acetamide
CID 140781276
1-cyano-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methylcyclopropane-1-carboxamide
CID 140781398
3-amino-N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-4-(2-oxoethyl)benzamide
CID 174064329
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-propan-2-ylanilino)ethyl]-N-methylpyrazine-2-carboxamide
CID 3278740
N-[2-(4-methoxyanilino)-1-(4-methylphenyl)-2-oxoethyl]-N-methylpyrazine-2-carboxamide
CID 3240157
(2R)-2-[(2-acetamidoacetyl)-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
CID 7044153
N-[1-(4-methoxy-3-methylphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
CID 140781253
N-[1-(4-methoxyphenyl)-2-oxo-2-[4-(trimethyl-λ4-sulfanyl)anilino]ethyl]-N-methyl-2-oxo-3H-1,3-oxazole-4-carboxamide
CID 129055111
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide
CID 4695262
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-2-(5-methylpyrazol-1-yl)propanamide
CID 140781395

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 140781358) is N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is COc1ccc(C(C(=O)Nc2ccc([Si](C)(C)C)cc2)N(C)C(=O)c2[nH]nc3ncccc23)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is GYJVTCZJMNMDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3Si/c1-31(26(33)22-21-7-6-16-27-24(21)30-29-22)23(17-8-12-19(34-2)13-9-17)25(32)28-18-10-14-20(15-11-18)35(3,4)5/h6-16,23H,1-5H3,(H,28,32)(H,27,29,30).
What are the key properties of N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 487.64 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 140781358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).