tert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate

C37H48N6O6Si — CID 68663003

IUPACtert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate
SMILESCOc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3ccc(N(C(=O)C4CCN4C(=O)OC(C)(C)C)C(=O)N(C)C)cc3)cc12
InChIInChI=1S/C37H48N6O6Si/c1-37(2,3)49-36(46)41-19-18-30(41)34(44)43(35(45)40(4)5)27-16-14-25(15-17-27)26-22-29-32(28-12-10-11-13-31(28)47-6)39-42(33(29)38-23-26)24-48-20-21-50(7,8)9/h10-17,22-23,30H,18-21,24H2,1-9H3
InChIKeyKPWGNIPIIUELID-UHFFFAOYSA-N
MW700.91 g/mol
LogP7.11
Rot. Bonds10

About tert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate

tert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate (PubChem CID 68663003) has the molecular formula C37H48N6O6Si and a molecular weight of 700.91 g/mol. Its IUPAC name is tert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate
PubChem CID68663003
Molecular FormulaC37H48N6O6Si
Molecular Weight700.91 g/mol
Exact Mass700.34
IUPAC Nametert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate
SMILESCOc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3ccc(N(C(=O)C4CCN4C(=O)OC(C)(C)C)C(=O)N(C)C)cc3)cc12
InChIInChI=1S/C37H48N6O6Si/c1-37(2,3)49-36(46)41-19-18-30(41)34(44)43(35(45)40(4)5)27-16-14-25(15-17-27)26-22-29-32(28-12-10-11-13-31(28)47-6)39-42(33(29)38-23-26)24-48-20-21-50(7,8)9/h10-17,22-23,30H,18-21,24H2,1-9H3
InChIKeyKPWGNIPIIUELID-UHFFFAOYSA-N
XLogP7.11
TPSA119.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.91
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate 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 tert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate (CID 68663003) is tert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate is COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3ccc(N(C(=O)C4CCN4C(=O)OC(C)(C)C)C(=O)N(C)C)cc3)cc12.
What is the InChIKey of tert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate?
The InChIKey is KPWGNIPIIUELID-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H48N6O6Si/c1-37(2,3)49-36(46)41-19-18-30(41)34(44)43(35(45)40(4)5)27-16-14-25(15-17-27)26-22-29-32(28-12-10-11-13-31(28)47-6)39-42(33(29)38-23-26)24-48-20-21-50(7,8)9/h10-17,22-23,30H,18-21,24H2,1-9H3.
What are the key properties of tert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate?
tert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate has a molecular weight of 700.91 g/mol, XLogP of 7.11, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[dimethylcarbamoyl-[4-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]carbamoyl]azetidine-1-carboxylate is sourced from PubChem (CID 68663003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).