4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol

C25H46N4O4Si2 — CID 66583932

IUPAC4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol
SMILESC[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCC(O)(CO)CC2)nc2ccnn12
InChIInChI=1S/C25H46N4O4Si2/c1-34(2,3)15-13-32-19-28(20-33-14-16-35(4,5)6)24-17-22(27-23-9-12-26-29(23)24)21-7-10-25(31,18-30)11-8-21/h9,12,17,21,30-31H,7-8,10-11,13-16,18-20H2,1-6H3
InChIKeyZILQLAWCOOWJRW-UHFFFAOYSA-N
MW522.84 g/mol
LogP4.54
Rot. Bonds13

About 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol

4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol (PubChem CID 66583932) has the molecular formula C25H46N4O4Si2 and a molecular weight of 522.84 g/mol. Its IUPAC name is 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol
PubChem CID66583932
Molecular FormulaC25H46N4O4Si2
Molecular Weight522.84 g/mol
Exact Mass522.31
IUPAC Name4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol
SMILESC[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCC(O)(CO)CC2)nc2ccnn12
InChIInChI=1S/C25H46N4O4Si2/c1-34(2,3)15-13-32-19-28(20-33-14-16-35(4,5)6)24-17-22(27-23-9-12-26-29(23)24)21-7-10-25(31,18-30)11-8-21/h9,12,17,21,30-31H,7-8,10-11,13-16,18-20H2,1-6H3
InChIKeyZILQLAWCOOWJRW-UHFFFAOYSA-N
XLogP4.54
TPSA92.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.84
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol?
The IUPAC name of 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol (CID 66583932) is 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol?
The canonical SMILES for 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol is C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(C2CCC(O)(CO)CC2)nc2ccnn12.
What is the InChIKey of 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol?
The InChIKey is ZILQLAWCOOWJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4O4Si2/c1-34(2,3)15-13-32-19-28(20-33-14-16-35(4,5)6)24-17-22(27-23-9-12-26-29(23)24)21-7-10-25(31,18-30)11-8-21/h9,12,17,21,30-31H,7-8,10-11,13-16,18-20H2,1-6H3.
What are the key properties of 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol?
4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol has a molecular weight of 522.84 g/mol, XLogP of 4.54, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-(hydroxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 66583932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).