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

C25H33ClN4O4Si — CID 66665387

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 Name: N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 66665387
• Molecular Formula: C25H33ClN4O4Si
• Molecular Weight: 517.10 g/mol
• Exact Mass: 516.20
• IUPAC Name: N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)(C)[Si](C)(C)OC1CCC(Oc2ccc(Cl)cc2NC(=O)c2cnn3cc(O)cnc23)CC1
• InChI: 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)
• InChIKey: ZPVXUERQAJESTA-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 97.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.10
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

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).