2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide

C22H23F3N4O3S — CID 167420223

About 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide

2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 167420223) has the molecular formula C22H23F3N4O3S and a molecular weight of 480.51 g/mol. Its IUPAC name is 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 167420223
• Molecular Formula: C22H23F3N4O3S
• Molecular Weight: 480.51 g/mol
• Exact Mass: 480.14
• IUPAC Name: 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CC(C)Oc1cc2nc(C34CCC(C)(C3)OC4)cn2cc1C(=O)Nc1nc(C(F)(F)F)cs1
• InChI: InChI=1S/C22H23F3N4O3S/c1-12(2)32-14-6-17-26-15(21-5-4-20(3,10-21)31-11-21)8-29(17)7-13(14)18(30)28-19-27-16(9-33-19)22(23,24)25/h6-9,12H,4-5,10-11H2,1-3H3,(H,27,28,30)
• InChIKey: OPIZXBGSBJEOOT-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.51
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 167420223) is 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc(C34CCC(C)(C3)OC4)cn2cc1C(=O)Nc1nc(C(F)(F)F)cs1.

What is the InChIKey of 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is OPIZXBGSBJEOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3S/c1-12(2)32-14-6-17-26-15(21-5-4-20(3,10-21)31-11-21)8-29(17)7-13(14)18(30)28-19-27-16(9-33-19)22(23,24)25/h6-9,12H,4-5,10-11H2,1-3H3,(H,27,28,30).

What are the key properties of 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?

2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 480.51 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 167420223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).