N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H33ClN4O4Si — CID 66665387

IUPACN-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)[Si](C)(C)OC1CCC(Oc2ccc(Cl)cc2NC(=O)c2cnn3cc(O)cnc23)CC1
InChIInChI=1S/C25H33ClN4O4Si/c1-25(2,3)35(4,5)34-19-9-7-18(8-10-19)33-22-11-6-16(26)12-21(22)29-24(32)20-14-28-30-15-17(31)13-27-23(20)30/h6,11-15,18-19,31H,7-10H2,1-5H3,(H,29,32)
InChIKeyZPVXUERQAJESTA-UHFFFAOYSA-N
MW517.10 g/mol
LogP6.05
Rot. Bonds6

About N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 66665387) has the molecular formula C25H33ClN4O4Si and a molecular weight of 517.10 g/mol. Its IUPAC name is N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID66665387
Molecular FormulaC25H33ClN4O4Si
Molecular Weight517.10 g/mol
Exact Mass516.20
IUPAC NameN-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(C)[Si](C)(C)OC1CCC(Oc2ccc(Cl)cc2NC(=O)c2cnn3cc(O)cnc23)CC1
InChIInChI=1S/C25H33ClN4O4Si/c1-25(2,3)35(4,5)34-19-9-7-18(8-10-19)33-22-11-6-16(26)12-21(22)29-24(32)20-14-28-30-15-17(31)13-27-23(20)30/h6,11-15,18-19,31H,7-10H2,1-5H3,(H,29,32)
InChIKeyZPVXUERQAJESTA-UHFFFAOYSA-N
XLogP6.05
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.10
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 66665387) is N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(C)[Si](C)(C)OC1CCC(Oc2ccc(Cl)cc2NC(=O)c2cnn3cc(O)cnc23)CC1.
What is the InChIKey of N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZPVXUERQAJESTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O4Si/c1-25(2,3)35(4,5)34-19-9-7-18(8-10-19)33-22-11-6-16(26)12-21(22)29-24(32)20-14-28-30-15-17(31)13-27-23(20)30/h6,11-15,18-19,31H,7-10H2,1-5H3,(H,29,32).
What are the key properties of N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 517.10 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 66665387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).