2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide

C29H34N4O4Si — CID 59824982

IUPAC2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(=O)C(=O)N(C)C)c3)cc12
InChIInChI=1S/C29H34N4O4Si/c1-32(2)29(35)27(34)21-11-9-10-20(16-21)22-17-24-26(23-12-7-8-13-25(23)36-3)31-33(28(24)30-18-22)19-37-14-15-38(4,5)6/h7-13,16-18H,14-15,19H2,1-6H3
InChIKeyXPGMZSNCRAOALI-UHFFFAOYSA-N
MW530.70 g/mol
LogP5.36
Rot. Bonds10

About 2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide

2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 59824982) has the molecular formula C29H34N4O4Si and a molecular weight of 530.70 g/mol. Its IUPAC name is 2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide
PubChem CID59824982
Molecular FormulaC29H34N4O4Si
Molecular Weight530.70 g/mol
Exact Mass530.23
IUPAC Name2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide
SMILESCOc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(=O)C(=O)N(C)C)c3)cc12
InChIInChI=1S/C29H34N4O4Si/c1-32(2)29(35)27(34)21-11-9-10-20(16-21)22-17-24-26(23-12-7-8-13-25(23)36-3)31-33(28(24)30-18-22)19-37-14-15-38(4,5)6/h7-13,16-18H,14-15,19H2,1-6H3
InChIKeyXPGMZSNCRAOALI-UHFFFAOYSA-N
XLogP5.36
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.70
LogP ≤ 55.36
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide (CID 59824982) is 2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide is COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(=O)C(=O)N(C)C)c3)cc12.
What is the InChIKey of 2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is XPGMZSNCRAOALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O4Si/c1-32(2)29(35)27(34)21-11-9-10-20(16-21)22-17-24-26(23-12-7-8-13-25(23)36-3)31-33(28(24)30-18-22)19-37-14-15-38(4,5)6/h7-13,16-18H,14-15,19H2,1-6H3.
What are the key properties of 2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide?
2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 530.70 g/mol, XLogP of 5.36, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 59824982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).