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

C30H38N4O3Si — CID 59824913

IUPAC2-[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)C(=O)N(C)C)c3)cc12
InChIInChI=1S/C30H38N4O3Si/c1-21(30(35)33(2)3)22-11-10-12-23(17-22)24-18-26-28(25-13-8-9-14-27(25)36-4)32-34(29(26)31-19-24)20-37-15-16-38(5,6)7/h8-14,17-19,21H,15-16,20H2,1-7H3
InChIKeyVUQKYRZOCQZBME-UHFFFAOYSA-N
MW530.75 g/mol
LogP6.28
Rot. Bonds10

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

2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide (PubChem CID 59824913) has the molecular formula C30H38N4O3Si and a molecular weight of 530.75 g/mol. Its IUPAC name is 2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide
PubChem CID59824913
Molecular FormulaC30H38N4O3Si
Molecular Weight530.75 g/mol
Exact Mass530.27
IUPAC Name2-[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)C(=O)N(C)C)c3)cc12
InChIInChI=1S/C30H38N4O3Si/c1-21(30(35)33(2)3)22-11-10-12-23(17-22)24-18-26-28(25-13-8-9-14-27(25)36-4)32-34(29(26)31-19-24)20-37-15-16-38(5,6)7/h8-14,17-19,21H,15-16,20H2,1-7H3
InChIKeyVUQKYRZOCQZBME-UHFFFAOYSA-N
XLogP6.28
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.75
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide 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 2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide (CID 59824913) is 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-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 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)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-dimethylpropanamide?
The InChIKey is VUQKYRZOCQZBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O3Si/c1-21(30(35)33(2)3)22-11-10-12-23(17-22)24-18-26-28(25-13-8-9-14-27(25)36-4)32-34(29(26)31-19-24)20-37-15-16-38(5,6)7/h8-14,17-19,21H,15-16,20H2,1-7H3.
What are the key properties of 2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide?
2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide has a molecular weight of 530.75 g/mol, XLogP of 6.28, 10 rotatable bonds, 0 hydrogen bond donors, and 6 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-dimethylpropanamide is sourced from PubChem (CID 59824913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).