[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol

C26H48N4O4Si2 — CID 66583795

IUPAC[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol
SMILESCOC1(CO)CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)CC1
InChIInChI=1S/C26H48N4O4Si2/c1-32-26(19-31)11-8-22(9-12-26)23-18-25(30-24(28-23)10-13-27-30)29(20-33-14-16-35(2,3)4)21-34-15-17-36(5,6)7/h10,13,18,22,31H,8-9,11-12,14-17,19-21H2,1-7H3
InChIKeyWCVCDAQBUGZPAB-UHFFFAOYSA-N
MW536.87 g/mol
LogP5.20
Rot. Bonds14

About [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol

[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol (PubChem CID 66583795) has the molecular formula C26H48N4O4Si2 and a molecular weight of 536.87 g/mol. Its IUPAC name is [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol.

Molecular Properties

Compound Name[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol
PubChem CID66583795
Molecular FormulaC26H48N4O4Si2
Molecular Weight536.87 g/mol
Exact Mass536.32
IUPAC Name[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol
SMILESCOC1(CO)CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)CC1
InChIInChI=1S/C26H48N4O4Si2/c1-32-26(19-31)11-8-22(9-12-26)23-18-25(30-24(28-23)10-13-27-30)29(20-33-14-16-35(2,3)4)21-34-15-17-36(5,6)7/h10,13,18,22,31H,8-9,11-12,14-17,19-21H2,1-7H3
InChIKeyWCVCDAQBUGZPAB-UHFFFAOYSA-N
XLogP5.20
TPSA81.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.87
LogP ≤ 55.20
H-Bond Donors ≤ 51
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-methoxycyclohexyl]methanol?
The IUPAC name of [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol (CID 66583795) is [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol.
What is the SMILES notation for [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol?
The canonical SMILES for [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol is COC1(CO)CCC(c2cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n3nccc3n2)CC1.
What is the InChIKey of [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol?
The InChIKey is WCVCDAQBUGZPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N4O4Si2/c1-32-26(19-31)11-8-22(9-12-26)23-18-25(30-24(28-23)10-13-27-30)29(20-33-14-16-35(2,3)4)21-34-15-17-36(5,6)7/h10,13,18,22,31H,8-9,11-12,14-17,19-21H2,1-7H3.
What are the key properties of [4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol?
[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]-1-methoxycyclohexyl]methanol has a molecular weight of 536.87 g/mol, XLogP of 5.20, 14 rotatable bonds, 1 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-methoxycyclohexyl]methanol is sourced from PubChem (CID 66583795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).