[(3R)-3-[[6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]oxy]cyclohexyl]carbamic acid

C29H36N6O4Si — CID 71253537

About [(3R)-3-[[6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]oxy]cyclohexyl]carbamic acid

[(3R)-3-[[6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]oxy]cyclohexyl]carbamic acid (PubChem CID 71253537) has the molecular formula C29H36N6O4Si and a molecular weight of 560.73 g/mol. Its IUPAC name is [(3R)-3-[[6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]oxy]cyclohexyl]carbamic acid.

Molecular Properties

• Compound Name: [(3R)-3-[[6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]oxy]cyclohexyl]carbamic acid
• PubChem CID: 71253537
• Molecular Formula: C29H36N6O4Si
• Molecular Weight: 560.73 g/mol
• Exact Mass: 560.26
• IUPAC Name: [(3R)-3-[[6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]oxy]cyclohexyl]carbamic acid
• SMILES: C[Si](C)(C)CCOCn1nc(-c2cccc(O[C@@H]3CCCC(NC(=O)O)C3)n2)c2cc(-c3cccnc3)ncc21
• InChI: InChI=1S/C29H36N6O4Si/c1-40(2,3)14-13-38-19-35-26-18-31-25(20-7-6-12-30-17-20)16-23(26)28(34-35)24-10-5-11-27(33-24)39-22-9-4-8-21(15-22)32-29(36)37/h5-7,10-12,16-18,21-22,32H,4,8-9,13-15,19H2,1-3H3,(H,36,37)/t21?,22-/m1/s1
• InChIKey: JXUSCPSFPMJLED-FOIFJWKZSA-N
• XLogP: 5.83
• TPSA: 124.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.73
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]oxy]cyclohexyl]carbamic acid?

The IUPAC name of [(3R)-3-[[6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]oxy]cyclohexyl]carbamic acid (CID 71253537) is [(3R)-3-[[6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]oxy]cyclohexyl]carbamic acid.

What is the SMILES notation for [(3R)-3-[[6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]oxy]cyclohexyl]carbamic acid?

The canonical SMILES for [(3R)-3-[[6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]oxy]cyclohexyl]carbamic acid is C[Si](C)(C)CCOCn1nc(-c2cccc(O[C@@H]3CCCC(NC(=O)O)C3)n2)c2cc(-c3cccnc3)ncc21.

What is the InChIKey of [(3R)-3-[[6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]oxy]cyclohexyl]carbamic acid?

The InChIKey is JXUSCPSFPMJLED-FOIFJWKZSA-N. The full InChI is InChI=1S/C29H36N6O4Si/c1-40(2,3)14-13-38-19-35-26-18-31-25(20-7-6-12-30-17-20)16-23(26)28(34-35)24-10-5-11-27(33-24)39-22-9-4-8-21(15-22)32-29(36)37/h5-7,10-12,16-18,21-22,32H,4,8-9,13-15,19H2,1-3H3,(H,36,37)/t21?,22-/m1/s1.

What are the key properties of [(3R)-3-[[6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]oxy]cyclohexyl]carbamic acid?

[(3R)-3-[[6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]oxy]cyclohexyl]carbamic acid has a molecular weight of 560.73 g/mol, XLogP of 5.83, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[[6-[5-pyridin-3-yl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]oxy]cyclohexyl]carbamic acid is sourced from PubChem (CID 71253537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).