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

C36H53N7O5Si — CID 131746311

IUPACtert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate
SMILESCOc1cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc(-c2cc(N(C)c3cncnc3)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C36H53N7O5Si/c1-24(2)43-33-30(20-39-43)32(42(10)26-18-37-23-38-19-26)17-31(40-33)25-14-27(45-11)16-28(15-25)46-22-29(48-49(12,13)36(6,7)8)21-41(9)34(44)47-35(3,4)5/h14-20,23-24,29H,21-22H2,1-13H3
InChIKeyWMSIUTUMMRPWMA-UHFFFAOYSA-N
MW691.95 g/mol
LogP7.88
Rot. Bonds12

About tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-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-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate (PubChem CID 131746311) has the molecular formula C36H53N7O5Si and a molecular weight of 691.95 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-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-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate
PubChem CID131746311
Molecular FormulaC36H53N7O5Si
Molecular Weight691.95 g/mol
Exact Mass691.39
IUPAC Nametert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate
SMILESCOc1cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc(-c2cc(N(C)c3cncnc3)c3cnn(C(C)C)c3n2)c1
InChIInChI=1S/C36H53N7O5Si/c1-24(2)43-33-30(20-39-43)32(42(10)26-18-37-23-38-19-26)17-31(40-33)25-14-27(45-11)16-28(15-25)46-22-29(48-49(12,13)36(6,7)8)21-41(9)34(44)47-35(3,4)5/h14-20,23-24,29H,21-22H2,1-13H3
InChIKeyWMSIUTUMMRPWMA-UHFFFAOYSA-N
XLogP7.88
TPSA116.96 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500691.95
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-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-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-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-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate (CID 131746311) is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-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-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-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-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate is COc1cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc(-c2cc(N(C)c3cncnc3)c3cnn(C(C)C)c3n2)c1.
What is the InChIKey of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate?
The InChIKey is WMSIUTUMMRPWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H53N7O5Si/c1-24(2)43-33-30(20-39-43)32(42(10)26-18-37-23-38-19-26)17-31(40-33)25-14-27(45-11)16-28(15-25)46-22-29(48-49(12,13)36(6,7)8)21-41(9)34(44)47-35(3,4)5/h14-20,23-24,29H,21-22H2,1-13H3.
What are the key properties of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-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-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate has a molecular weight of 691.95 g/mol, XLogP of 7.88, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-methoxy-5-[4-[methyl(pyrimidin-5-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propyl]-N-methylcarbamate is sourced from PubChem (CID 131746311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).