[5-[(4-aminocyclohexyl)amino]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid

C29H44N6O4Si — CID 68951897

About [5-[(4-aminocyclohexyl)amino]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid

[5-[(4-aminocyclohexyl)amino]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid (PubChem CID 68951897) has the molecular formula C29H44N6O4Si and a molecular weight of 568.80 g/mol. Its IUPAC name is [5-[(4-aminocyclohexyl)amino]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid.

Molecular Properties

• Compound Name: [5-[(4-aminocyclohexyl)amino]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid
• PubChem CID: 68951897
• Molecular Formula: C29H44N6O4Si
• Molecular Weight: 568.80 g/mol
• Exact Mass: 568.32
• IUPAC Name: [5-[(4-aminocyclohexyl)amino]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid
• SMILES: CCOc1ccc(N(C(=O)O)c2c(CCO[Si](C)(C)C(C)(C)C)c(NC3CCC(N)CC3)nc3ccnn23)cc1
• InChI: InChI=1S/C29H44N6O4Si/c1-7-38-23-14-12-22(13-15-23)34(28(36)37)27-24(17-19-39-40(5,6)29(2,3)4)26(33-25-16-18-31-35(25)27)32-21-10-8-20(30)9-11-21/h12-16,18,20-21H,7-11,17,19,30H2,1-6H3,(H,32,33)(H,36,37)
• InChIKey: WPXASFZCRWGVBO-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 127.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.80
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[(4-aminocyclohexyl)amino]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid?

The IUPAC name of [5-[(4-aminocyclohexyl)amino]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid (CID 68951897) is [5-[(4-aminocyclohexyl)amino]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid.

What is the SMILES notation for [5-[(4-aminocyclohexyl)amino]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid?

The canonical SMILES for [5-[(4-aminocyclohexyl)amino]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid is CCOc1ccc(N(C(=O)O)c2c(CCO[Si](C)(C)C(C)(C)C)c(NC3CCC(N)CC3)nc3ccnn23)cc1.

What is the InChIKey of [5-[(4-aminocyclohexyl)amino]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid?

The InChIKey is WPXASFZCRWGVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N6O4Si/c1-7-38-23-14-12-22(13-15-23)34(28(36)37)27-24(17-19-39-40(5,6)29(2,3)4)26(33-25-16-18-31-35(25)27)32-21-10-8-20(30)9-11-21/h12-16,18,20-21H,7-11,17,19,30H2,1-6H3,(H,32,33)(H,36,37).

What are the key properties of [5-[(4-aminocyclohexyl)amino]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid?

[5-[(4-aminocyclohexyl)amino]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid has a molecular weight of 568.80 g/mol, XLogP of 6.19, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(4-aminocyclohexyl)amino]-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid is sourced from PubChem (CID 68951897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).