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

C30H38N4O4Si — CID 59824885

IUPAC2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide
SMILESCOc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(C)(O)C(=O)N(C)C)c3)cc12
InChIInChI=1S/C30H38N4O4Si/c1-30(36,29(35)33(2)3)23-12-10-11-21(17-23)22-18-25-27(24-13-8-9-14-26(24)37-4)32-34(28(25)31-19-22)20-38-15-16-39(5,6)7/h8-14,17-19,36H,15-16,20H2,1-7H3
InChIKeySEJXHROHZAUDEH-UHFFFAOYSA-N
MW546.74 g/mol
LogP5.38
Rot. Bonds10

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

2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide (PubChem CID 59824885) has the molecular formula C30H38N4O4Si and a molecular weight of 546.74 g/mol. Its IUPAC name is 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide
PubChem CID59824885
Molecular FormulaC30H38N4O4Si
Molecular Weight546.74 g/mol
Exact Mass546.27
IUPAC Name2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide
SMILESCOc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(C)(O)C(=O)N(C)C)c3)cc12
InChIInChI=1S/C30H38N4O4Si/c1-30(36,29(35)33(2)3)23-12-10-11-21(17-23)22-18-25-27(24-13-8-9-14-26(24)37-4)32-34(28(25)31-19-22)20-38-15-16-39(5,6)7/h8-14,17-19,36H,15-16,20H2,1-7H3
InChIKeySEJXHROHZAUDEH-UHFFFAOYSA-N
XLogP5.38
TPSA89.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.74
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide (CID 59824885) is 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide is COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(C)(O)C(=O)N(C)C)c3)cc12.
What is the InChIKey of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide?
The InChIKey is SEJXHROHZAUDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4Si/c1-30(36,29(35)33(2)3)23-12-10-11-21(17-23)22-18-25-27(24-13-8-9-14-26(24)37-4)32-34(28(25)31-19-22)20-38-15-16-39(5,6)7/h8-14,17-19,36H,15-16,20H2,1-7H3.
What are the key properties of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide?
2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide has a molecular weight of 546.74 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 59824885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).