[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone

C34H45FN6O3Si — CID 59836165

IUPAC[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone
SMILESCOc1ccc(F)cc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(=O)N4CCN(CCN(C)C)CC4)c3)cc12
InChIInChI=1S/C34H45FN6O3Si/c1-38(2)12-13-39-14-16-40(17-15-39)34(42)26-9-7-8-25(20-26)27-21-30-32(29-22-28(35)10-11-31(29)43-3)37-41(33(30)36-23-27)24-44-18-19-45(4,5)6/h7-11,20-23H,12-19,24H2,1-6H3
InChIKeyACXLKUPERUCFDR-UHFFFAOYSA-N
MW632.86 g/mol
LogP5.54
Rot. Bonds12

About [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone

[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone (PubChem CID 59836165) has the molecular formula C34H45FN6O3Si and a molecular weight of 632.86 g/mol. Its IUPAC name is [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone
PubChem CID59836165
Molecular FormulaC34H45FN6O3Si
Molecular Weight632.86 g/mol
Exact Mass632.33
IUPAC Name[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone
SMILESCOc1ccc(F)cc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(=O)N4CCN(CCN(C)C)CC4)c3)cc12
InChIInChI=1S/C34H45FN6O3Si/c1-38(2)12-13-39-14-16-40(17-15-39)34(42)26-9-7-8-25(20-26)27-21-30-32(29-22-28(35)10-11-31(29)43-3)37-41(33(30)36-23-27)24-44-18-19-45(4,5)6/h7-11,20-23H,12-19,24H2,1-6H3
InChIKeyACXLKUPERUCFDR-UHFFFAOYSA-N
XLogP5.54
TPSA75.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.86
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone 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 [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone?
The IUPAC name of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone (CID 59836165) is [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone.
What is the SMILES notation for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone?
The canonical SMILES for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone is COc1ccc(F)cc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(=O)N4CCN(CCN(C)C)CC4)c3)cc12.
What is the InChIKey of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone?
The InChIKey is ACXLKUPERUCFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45FN6O3Si/c1-38(2)12-13-39-14-16-40(17-15-39)34(42)26-9-7-8-25(20-26)27-21-30-32(29-22-28(35)10-11-31(29)43-3)37-41(33(30)36-23-27)24-44-18-19-45(4,5)6/h7-11,20-23H,12-19,24H2,1-6H3.
What are the key properties of [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone?
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone has a molecular weight of 632.86 g/mol, XLogP of 5.54, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone is sourced from PubChem (CID 59836165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).