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

C33H47N7O4Si — CID 164920565

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

tert-butyl 4-[4-[4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate (PubChem CID 164920565) has the molecular formula C33H47N7O4Si and a molecular weight of 633.87 g/mol. Its IUPAC name is tert-butyl 4-[4-[4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
• PubChem CID: 164920565
• Molecular Formula: C33H47N7O4Si
• Molecular Weight: 633.87 g/mol
• Exact Mass: 633.35
• IUPAC Name: tert-butyl 4-[4-[4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
• SMILES: Cc1c(-c2cc(O[C@@H](CO[Si](C)(C)C(C)(C)C)c3ccccn3)c3ccnn3c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1
• InChI: InChI=1S/C33H47N7O4Si/c1-23-30(36-37-40(23)25-14-18-38(19-15-25)31(41)44-32(2,3)4)24-20-28(27-13-17-35-39(27)21-24)43-29(26-12-10-11-16-34-26)22-42-45(8,9)33(5,6)7/h10-13,16-17,20-21,25,29H,14-15,18-19,22H2,1-9H3/t29-/m0/s1
• InChIKey: CMYOLDFWUAALRA-LJAQVGFWSA-N
• XLogP: 7.01
• TPSA: 108.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.87
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[4-[4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate (CID 164920565) is tert-butyl 4-[4-[4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate.

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

The canonical SMILES for tert-butyl 4-[4-[4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate is Cc1c(-c2cc(O[C@@H](CO[Si](C)(C)C(C)(C)C)c3ccccn3)c3ccnn3c2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1.

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

The InChIKey is CMYOLDFWUAALRA-LJAQVGFWSA-N. The full InChI is InChI=1S/C33H47N7O4Si/c1-23-30(36-37-40(23)25-14-18-38(19-15-25)31(41)44-32(2,3)4)24-20-28(27-13-17-35-39(27)21-24)43-29(26-12-10-11-16-34-26)22-42-45(8,9)33(5,6)7/h10-13,16-17,20-21,25,29H,14-15,18-19,22H2,1-9H3/t29-/m0/s1.

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

tert-butyl 4-[4-[4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate has a molecular weight of 633.87 g/mol, XLogP of 7.01, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[4-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 164920565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).