tert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate

C29H40N4O5Si — CID 58837580

IUPACtert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate
SMILESCCOc1ccc(N(C(=O)OC(C)(C)C)c2c(CCO[Si](C)(C)C(C)(C)C)c(=O)c(C#N)c3cc[nH]n23)cc1
InChIInChI=1S/C29H40N4O5Si/c1-10-36-21-13-11-20(12-14-21)32(27(35)38-28(2,3)4)26-22(16-18-37-39(8,9)29(5,6)7)25(34)23(19-30)24-15-17-31-33(24)26/h11-15,17,31H,10,16,18H2,1-9H3
InChIKeyATFVJWCCPUKUDI-UHFFFAOYSA-N
MW552.75 g/mol
LogP6.54
Rot. Bonds8

About tert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate

tert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate (PubChem CID 58837580) has the molecular formula C29H40N4O5Si and a molecular weight of 552.75 g/mol. Its IUPAC name is tert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate
PubChem CID58837580
Molecular FormulaC29H40N4O5Si
Molecular Weight552.75 g/mol
Exact Mass552.28
IUPAC Nametert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate
SMILESCCOc1ccc(N(C(=O)OC(C)(C)C)c2c(CCO[Si](C)(C)C(C)(C)C)c(=O)c(C#N)c3cc[nH]n23)cc1
InChIInChI=1S/C29H40N4O5Si/c1-10-36-21-13-11-20(12-14-21)32(27(35)38-28(2,3)4)26-22(16-18-37-39(8,9)29(5,6)7)25(34)23(19-30)24-15-17-31-33(24)26/h11-15,17,31H,10,16,18H2,1-9H3
InChIKeyATFVJWCCPUKUDI-UHFFFAOYSA-N
XLogP6.54
TPSA109.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.75
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate 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 N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate (CID 58837580) is tert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate is CCOc1ccc(N(C(=O)OC(C)(C)C)c2c(CCO[Si](C)(C)C(C)(C)C)c(=O)c(C#N)c3cc[nH]n23)cc1.
What is the InChIKey of tert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate?
The InChIKey is ATFVJWCCPUKUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O5Si/c1-10-36-21-13-11-20(12-14-21)32(27(35)38-28(2,3)4)26-22(16-18-37-39(8,9)29(5,6)7)25(34)23(19-30)24-15-17-31-33(24)26/h11-15,17,31H,10,16,18H2,1-9H3.
What are the key properties of tert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate?
tert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate has a molecular weight of 552.75 g/mol, XLogP of 6.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-cyano-5-oxo-1H-pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate is sourced from PubChem (CID 58837580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).