tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate

C36H56N6O6Si — CID 90426483

IUPACtert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate
SMILESCC(C)n1ncc2c(NC(=O)NC3CCOCC3)cc(-c3cccc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)nc21
InChIInChI=1S/C36H56N6O6Si/c1-24(2)42-32-29(21-37-42)31(40-33(43)38-26-15-17-45-18-16-26)20-30(39-32)25-13-12-14-27(19-25)46-23-28(48-49(10,11)36(6,7)8)22-41(9)34(44)47-35(3,4)5/h12-14,19-21,24,26,28H,15-18,22-23H2,1-11H3,(H2,38,39,40,43)
InChIKeyBFECIXJIWJCPCK-UHFFFAOYSA-N
MW696.97 g/mol
LogP7.62
Rot. Bonds11

About tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate (PubChem CID 90426483) has the molecular formula C36H56N6O6Si and a molecular weight of 696.97 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate
PubChem CID90426483
Molecular FormulaC36H56N6O6Si
Molecular Weight696.97 g/mol
Exact Mass696.40
IUPAC Nametert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate
SMILESCC(C)n1ncc2c(NC(=O)NC3CCOCC3)cc(-c3cccc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)nc21
InChIInChI=1S/C36H56N6O6Si/c1-24(2)42-32-29(21-37-42)31(40-33(43)38-26-15-17-45-18-16-26)20-30(39-32)25-13-12-14-27(19-25)46-23-28(48-49(10,11)36(6,7)8)22-41(9)34(44)47-35(3,4)5/h12-14,19-21,24,26,28H,15-18,22-23H2,1-11H3,(H2,38,39,40,43)
InChIKeyBFECIXJIWJCPCK-UHFFFAOYSA-N
XLogP7.62
TPSA129.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.97
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate 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-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate (CID 90426483) is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate is CC(C)n1ncc2c(NC(=O)NC3CCOCC3)cc(-c3cccc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)nc21.
What is the InChIKey of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate?
The InChIKey is BFECIXJIWJCPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H56N6O6Si/c1-24(2)42-32-29(21-37-42)31(40-33(43)38-26-15-17-45-18-16-26)20-30(39-32)25-13-12-14-27(19-25)46-23-28(48-49(10,11)36(6,7)8)22-41(9)34(44)47-35(3,4)5/h12-14,19-21,24,26,28H,15-18,22-23H2,1-11H3,(H2,38,39,40,43).
What are the key properties of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate?
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate has a molecular weight of 696.97 g/mol, XLogP of 7.62, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-[4-(oxan-4-ylcarbamoylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate is sourced from PubChem (CID 90426483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).