tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate

C28H29F3N8O2 — CID 121339223

About tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 121339223) has the molecular formula C28H29F3N8O2 and a molecular weight of 566.59 g/mol. Its IUPAC name is tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
• PubChem CID: 121339223
• Molecular Formula: C28H29F3N8O2
• Molecular Weight: 566.59 g/mol
• Exact Mass: 566.24
• IUPAC Name: tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4cnn(Cc5cnc6ccc(C(F)(F)F)cn56)c4c3)cn2)CC1
• InChI: InChI=1S/C28H29F3N8O2/c1-27(2,3)41-26(40)36-8-6-21(7-9-36)38-15-19(12-34-38)18-10-24-23(32-11-18)14-35-39(24)17-22-13-33-25-5-4-20(16-37(22)25)28(29,30)31/h4-5,10-16,21H,6-9,17H2,1-3H3
• InChIKey: OCQJCSIOEVSBIV-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 95.37 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.59
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate (CID 121339223) is tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4cnn(Cc5cnc6ccc(C(F)(F)F)cn56)c4c3)cn2)CC1.

What is the InChIKey of tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate?

The InChIKey is OCQJCSIOEVSBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N8O2/c1-27(2,3)41-26(40)36-8-6-21(7-9-36)38-15-19(12-34-38)18-10-24-23(32-11-18)14-35-39(24)17-22-13-33-25-5-4-20(16-37(22)25)28(29,30)31/h4-5,10-16,21H,6-9,17H2,1-3H3.

What are the key properties of tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate?

tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 566.59 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 121339223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).