tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate

C27H26F4N6O3 — CID 162493675

About tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate

tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate (PubChem CID 162493675) has the molecular formula C27H26F4N6O3 and a molecular weight of 558.54 g/mol. Its IUPAC name is tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate
• PubChem CID: 162493675
• Molecular Formula: C27H26F4N6O3
• Molecular Weight: 558.54 g/mol
• Exact Mass: 558.20
• IUPAC Name: tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate
• SMILES: CC(C)(C)OC(=O)C1CC2CC1N(C(=O)c1cc3c(cn1)c(-c1cnc4ccc(F)cn14)nn3CC(F)(F)F)C2
• InChI: InChI=1S/C27H26F4N6O3/c1-26(2,3)40-25(39)16-6-14-7-19(16)36(11-14)24(38)18-8-20-17(9-32-18)23(34-37(20)13-27(29,30)31)21-10-33-22-5-4-15(28)12-35(21)22/h4-5,8-10,12,14,16,19H,6-7,11,13H2,1-3H3
• InChIKey: RNBRZPMHCJYTNZ-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 94.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.54
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate?

The IUPAC name of tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate (CID 162493675) is tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate.

What is the SMILES notation for tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate?

The canonical SMILES for tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate is CC(C)(C)OC(=O)C1CC2CC1N(C(=O)c1cc3c(cn1)c(-c1cnc4ccc(F)cn14)nn3CC(F)(F)F)C2.

What is the InChIKey of tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate?

The InChIKey is RNBRZPMHCJYTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F4N6O3/c1-26(2,3)40-25(39)16-6-14-7-19(16)36(11-14)24(38)18-8-20-17(9-32-18)23(34-37(20)13-27(29,30)31)21-10-33-22-5-4-15(28)12-35(21)22/h4-5,8-10,12,14,16,19H,6-7,11,13H2,1-3H3.

What are the key properties of tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate?

tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate has a molecular weight of 558.54 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate is sourced from PubChem (CID 162493675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).