2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid

C27H28F3N5O6 — CID 154998218

About 2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid

2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998218) has the molecular formula C27H28F3N5O6 and a molecular weight of 575.54 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 154998218
• Molecular Formula: C27H28F3N5O6
• Molecular Weight: 575.54 g/mol
• Exact Mass: 575.20
• IUPAC Name: 2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1cc(-c2nc(C(=O)Nc3cn4cc(C5CCOCC5)nc4cc3OC(C)C)co2)ccn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C25H27N5O4.C2HF3O2/c1-15(2)34-22-11-23-27-19(17-5-8-32-9-6-17)12-30(23)13-20(22)28-24(31)21-14-33-25(29-21)18-4-7-26-16(3)10-18;3-2(4,5)1(6)7/h4,7,10-15,17H,5-6,8-9H2,1-3H3,(H,28,31);(H,6,7)
• InChIKey: LVZRVPCLIRYYKM-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 141.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.54
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 154998218) is 2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(-c2nc(C(=O)Nc3cn4cc(C5CCOCC5)nc4cc3OC(C)C)co2)ccn1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is LVZRVPCLIRYYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4.C2HF3O2/c1-15(2)34-22-11-23-27-19(17-5-8-32-9-6-17)12-30(23)13-20(22)28-24(31)21-14-33-25(29-21)18-4-7-26-16(3)10-18;3-2(4,5)1(6)7/h4,7,10-15,17H,5-6,8-9H2,1-3H3,(H,28,31);(H,6,7).

What are the key properties of 2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid?

2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 575.54 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).