tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate

C34H46N8O4Si — CID 171818765

About tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate (PubChem CID 171818765) has the molecular formula C34H46N8O4Si and a molecular weight of 658.88 g/mol. Its IUPAC name is tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
• PubChem CID: 171818765
• Molecular Formula: C34H46N8O4Si
• Molecular Weight: 658.88 g/mol
• Exact Mass: 658.34
• IUPAC Name: tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
• SMILES: Cc1c(-c2cc(OC(CO[Si](C)(C)C(C)(C)C)c3ccccn3)c3c(C#N)cnn3c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1
• InChI: InChI=1S/C34H46N8O4Si/c1-23-30(38-39-42(23)26-13-16-40(17-14-26)32(43)46-33(2,3)4)24-18-28(31-25(19-35)20-37-41(31)21-24)45-29(27-12-10-11-15-36-27)22-44-47(8,9)34(5,6)7/h10-12,15,18,20-21,26,29H,13-14,16-17,22H2,1-9H3
• InChIKey: BRORVJJFRFAFHM-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 132.69 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	658.88
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate (CID 171818765) is tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate is Cc1c(-c2cc(OC(CO[Si](C)(C)C(C)(C)C)c3ccccn3)c3c(C#N)cnn3c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1.

What is the InChIKey of tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?

The InChIKey is BRORVJJFRFAFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N8O4Si/c1-23-30(38-39-42(23)26-13-16-40(17-14-26)32(43)46-33(2,3)4)24-18-28(31-25(19-35)20-37-41(31)21-24)45-29(27-12-10-11-15-36-27)22-44-47(8,9)34(5,6)7/h10-12,15,18,20-21,26,29H,13-14,16-17,22H2,1-9H3.

What are the key properties of tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?

tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate has a molecular weight of 658.88 g/mol, XLogP of 6.88, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 171818765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).