tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate

C30H51N5O5Si — CID 171479940

About tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate

tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate (PubChem CID 171479940) has the molecular formula C30H51N5O5Si and a molecular weight of 589.85 g/mol. Its IUPAC name is tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate
• PubChem CID: 171479940
• Molecular Formula: C30H51N5O5Si
• Molecular Weight: 589.85 g/mol
• Exact Mass: 589.37
• IUPAC Name: tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate
• SMILES: C[C@@H]1CN(c2cc(=O)n(C)c3cn(C4CCCCO4)nc23)[C@@H](CCO[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C30H51N5O5Si/c1-21-18-34(23-17-25(36)32(8)24-20-35(31-27(23)24)26-13-11-12-15-38-26)22(14-16-39-41(9,10)30(5,6)7)19-33(21)28(37)40-29(2,3)4/h17,20-22,26H,11-16,18-19H2,1-10H3/t21-,22+,26?/m1/s1
• InChIKey: UVWORZBCTIERPO-SGNGHUOJSA-N
• XLogP: 5.66
• TPSA: 91.06 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.85
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate?

The IUPAC name of tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate (CID 171479940) is tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate.

What is the SMILES notation for tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate?

The canonical SMILES for tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate is C[C@@H]1CN(c2cc(=O)n(C)c3cn(C4CCCCO4)nc23)[C@@H](CCO[Si](C)(C)C(C)(C)C)CN1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate?

The InChIKey is UVWORZBCTIERPO-SGNGHUOJSA-N. The full InChI is InChI=1S/C30H51N5O5Si/c1-21-18-34(23-17-25(36)32(8)24-20-35(31-27(23)24)26-13-11-12-15-38-26)22(14-16-39-41(9,10)30(5,6)7)19-33(21)28(37)40-29(2,3)4/h17,20-22,26H,11-16,18-19H2,1-10H3/t21-,22+,26?/m1/s1.

What are the key properties of tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate?

tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate has a molecular weight of 589.85 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-4-[4-methyl-2-(oxan-2-yl)-5-oxopyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate is sourced from PubChem (CID 171479940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).