tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate

C37H57N5O5Si — CID 90425862

IUPACtert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate
SMILESCC(C)c1cnn2c(N3CCOCC3)cc(-c3cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc(C4CC4)c3)nc12
InChIInChI=1S/C37H57N5O5Si/c1-25(2)31-22-38-42-33(41-14-16-44-17-15-41)21-32(39-34(31)42)28-18-27(26-12-13-26)19-29(20-28)45-24-30(47-48(10,11)37(6,7)8)23-40(9)35(43)46-36(3,4)5/h18-22,25-26,30H,12-17,23-24H2,1-11H3
InChIKeyLSABPHDDTKKOAC-UHFFFAOYSA-N
MW679.98 g/mol
LogP7.87
Rot. Bonds11

About tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate (PubChem CID 90425862) has the molecular formula C37H57N5O5Si and a molecular weight of 679.98 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate
PubChem CID90425862
Molecular FormulaC37H57N5O5Si
Molecular Weight679.98 g/mol
Exact Mass679.41
IUPAC Nametert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate
SMILESCC(C)c1cnn2c(N3CCOCC3)cc(-c3cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc(C4CC4)c3)nc12
InChIInChI=1S/C37H57N5O5Si/c1-25(2)31-22-38-42-33(41-14-16-44-17-15-41)21-32(39-34(31)42)28-18-27(26-12-13-26)19-29(20-28)45-24-30(47-48(10,11)37(6,7)8)23-40(9)35(43)46-36(3,4)5/h18-22,25-26,30H,12-17,23-24H2,1-11H3
InChIKeyLSABPHDDTKKOAC-UHFFFAOYSA-N
XLogP7.87
TPSA90.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.98
LogP ≤ 57.87
H-Bond Donors ≤ 50
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-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-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-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate (CID 90425862) is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate is CC(C)c1cnn2c(N3CCOCC3)cc(-c3cc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)cc(C4CC4)c3)nc12.
What is the InChIKey of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate?
The InChIKey is LSABPHDDTKKOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H57N5O5Si/c1-25(2)31-22-38-42-33(41-14-16-44-17-15-41)21-32(39-34(31)42)28-18-27(26-12-13-26)19-29(20-28)45-24-30(47-48(10,11)37(6,7)8)23-40(9)35(43)46-36(3,4)5/h18-22,25-26,30H,12-17,23-24H2,1-11H3.
What are the key properties of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate?
tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate has a molecular weight of 679.98 g/mol, XLogP of 7.87, 11 rotatable bonds, 0 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-cyclopropyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]propyl]-N-methylcarbamate is sourced from PubChem (CID 90425862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).