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

C34H52ClN5O5Si — CID 90425184

IUPAC[3-[tert-butyl(dimethyl)silyl]oxy-4-[3-chloro-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]butyl] N-tert-butylcarbamate
SMILESCC(C)c1cnn2c(N3CCOCC3)cc(-c3cc(Cl)cc(OCC(CCOC(=O)NC(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)nc12
InChIInChI=1S/C34H52ClN5O5Si/c1-23(2)28-21-36-40-30(39-12-15-42-16-13-39)20-29(37-31(28)40)24-17-25(35)19-27(18-24)44-22-26(45-46(9,10)34(6,7)8)11-14-43-32(41)38-33(3,4)5/h17-21,23,26H,11-16,22H2,1-10H3,(H,38,41)
InChIKeyCPUZVJLNILWLPC-UHFFFAOYSA-N
MW674.36 g/mol
LogP7.69
Rot. Bonds11

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

[3-[tert-butyl(dimethyl)silyl]oxy-4-[3-chloro-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]butyl] N-tert-butylcarbamate (PubChem CID 90425184) has the molecular formula C34H52ClN5O5Si and a molecular weight of 674.36 g/mol. Its IUPAC name is [3-[tert-butyl(dimethyl)silyl]oxy-4-[3-chloro-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]butyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[3-[tert-butyl(dimethyl)silyl]oxy-4-[3-chloro-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]butyl] N-tert-butylcarbamate
PubChem CID90425184
Molecular FormulaC34H52ClN5O5Si
Molecular Weight674.36 g/mol
Exact Mass673.34
IUPAC Name[3-[tert-butyl(dimethyl)silyl]oxy-4-[3-chloro-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]butyl] N-tert-butylcarbamate
SMILESCC(C)c1cnn2c(N3CCOCC3)cc(-c3cc(Cl)cc(OCC(CCOC(=O)NC(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)nc12
InChIInChI=1S/C34H52ClN5O5Si/c1-23(2)28-21-36-40-30(39-12-15-42-16-13-39)20-29(37-31(28)40)24-17-25(35)19-27(18-24)44-22-26(45-46(9,10)34(6,7)8)11-14-43-32(41)38-33(3,4)5/h17-21,23,26H,11-16,22H2,1-10H3,(H,38,41)
InChIKeyCPUZVJLNILWLPC-UHFFFAOYSA-N
XLogP7.69
TPSA99.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.36
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-4-[3-chloro-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]butyl] N-tert-butylcarbamate?
The IUPAC name of [3-[tert-butyl(dimethyl)silyl]oxy-4-[3-chloro-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]butyl] N-tert-butylcarbamate (CID 90425184) is [3-[tert-butyl(dimethyl)silyl]oxy-4-[3-chloro-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]butyl] N-tert-butylcarbamate.
What is the SMILES notation for [3-[tert-butyl(dimethyl)silyl]oxy-4-[3-chloro-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]butyl] N-tert-butylcarbamate?
The canonical SMILES for [3-[tert-butyl(dimethyl)silyl]oxy-4-[3-chloro-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]butyl] N-tert-butylcarbamate is CC(C)c1cnn2c(N3CCOCC3)cc(-c3cc(Cl)cc(OCC(CCOC(=O)NC(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)nc12.
What is the InChIKey of [3-[tert-butyl(dimethyl)silyl]oxy-4-[3-chloro-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]butyl] N-tert-butylcarbamate?
The InChIKey is CPUZVJLNILWLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52ClN5O5Si/c1-23(2)28-21-36-40-30(39-12-15-42-16-13-39)20-29(37-31(28)40)24-17-25(35)19-27(18-24)44-22-26(45-46(9,10)34(6,7)8)11-14-43-32(41)38-33(3,4)5/h17-21,23,26H,11-16,22H2,1-10H3,(H,38,41).
What are the key properties of [3-[tert-butyl(dimethyl)silyl]oxy-4-[3-chloro-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]butyl] N-tert-butylcarbamate?
[3-[tert-butyl(dimethyl)silyl]oxy-4-[3-chloro-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]butyl] N-tert-butylcarbamate has a molecular weight of 674.36 g/mol, XLogP of 7.69, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[tert-butyl(dimethyl)silyl]oxy-4-[3-chloro-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]butyl] N-tert-butylcarbamate is sourced from PubChem (CID 90425184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).