tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate

C30H45ClN4O4Si — CID 90425016

About tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate (PubChem CID 90425016) has the molecular formula C30H45ClN4O4Si and a molecular weight of 589.25 g/mol. Its IUPAC name is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate
• PubChem CID: 90425016
• Molecular Formula: C30H45ClN4O4Si
• Molecular Weight: 589.25 g/mol
• Exact Mass: 588.29
• IUPAC Name: tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate
• SMILES: CC(C)n1ncc2c(Cl)cc(-c3cccc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)nc21
• InChI: InChI=1S/C30H45ClN4O4Si/c1-20(2)35-27-24(17-32-35)25(31)16-26(33-27)21-13-12-14-22(15-21)37-19-23(39-40(10,11)30(6,7)8)18-34(9)28(36)38-29(3,4)5/h12-17,20,23H,18-19H2,1-11H3
• InChIKey: MQMUWDZHQYOWAL-UHFFFAOYSA-N
• XLogP: 7.97
• TPSA: 78.71 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.25
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	0
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 tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate (CID 90425016) is tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate is CC(C)n1ncc2c(Cl)cc(-c3cccc(OCC(CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)c3)nc21.

What is the InChIKey of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate?

The InChIKey is MQMUWDZHQYOWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45ClN4O4Si/c1-20(2)35-27-24(17-32-35)25(31)16-26(33-27)21-13-12-14-22(15-21)37-19-23(39-40(10,11)30(6,7)8)18-34(9)28(36)38-29(3,4)5/h12-17,20,23H,18-19H2,1-11H3.

What are the key properties of tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate?

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate has a molecular weight of 589.25 g/mol, XLogP of 7.97, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxy-3-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenoxy]propyl]-N-methylcarbamate is sourced from PubChem (CID 90425016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).