2-[[2-methyl-6-[3-methyl-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazol-5-yl]-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid

C23H23F3N6O4 — CID 175909860

About 2-[[2-methyl-6-[3-methyl-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazol-5-yl]-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid

2-[[2-methyl-6-[3-methyl-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazol-5-yl]-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 175909860) has the molecular formula C23H23F3N6O4 and a molecular weight of 504.47 g/mol. Its IUPAC name is 2-[[2-methyl-6-[3-methyl-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazol-5-yl]-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[2-methyl-6-[3-methyl-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazol-5-yl]-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
• PubChem CID: 175909860
• Molecular Formula: C23H23F3N6O4
• Molecular Weight: 504.47 g/mol
• Exact Mass: 504.17
• IUPAC Name: 2-[[2-methyl-6-[3-methyl-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazol-5-yl]-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
• SMILES: Cc1nc(-c2onc(C)c2Nc2cncc(C(F)(F)F)n2)ccc1NC(=O)C1CCCCC1C(=O)O
• InChI: InChI=1S/C23H23F3N6O4/c1-11-15(29-21(33)13-5-3-4-6-14(13)22(34)35)7-8-16(28-11)20-19(12(2)32-36-20)31-18-10-27-9-17(30-18)23(24,25)26/h7-10,13-14H,3-6H2,1-2H3,(H,29,33)(H,30,31)(H,34,35)
• InChIKey: ZBPSWRZKDUAVFJ-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 143.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.47
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-6-[3-methyl-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazol-5-yl]-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?

The IUPAC name of 2-[[2-methyl-6-[3-methyl-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazol-5-yl]-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 175909860) is 2-[[2-methyl-6-[3-methyl-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazol-5-yl]-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid.

What is the SMILES notation for 2-[[2-methyl-6-[3-methyl-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazol-5-yl]-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?

The canonical SMILES for 2-[[2-methyl-6-[3-methyl-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazol-5-yl]-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid is Cc1nc(-c2onc(C)c2Nc2cncc(C(F)(F)F)n2)ccc1NC(=O)C1CCCCC1C(=O)O.

What is the InChIKey of 2-[[2-methyl-6-[3-methyl-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazol-5-yl]-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?

The InChIKey is ZBPSWRZKDUAVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O4/c1-11-15(29-21(33)13-5-3-4-6-14(13)22(34)35)7-8-16(28-11)20-19(12(2)32-36-20)31-18-10-27-9-17(30-18)23(24,25)26/h7-10,13-14H,3-6H2,1-2H3,(H,29,33)(H,30,31)(H,34,35).

What are the key properties of 2-[[2-methyl-6-[3-methyl-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazol-5-yl]-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid?

2-[[2-methyl-6-[3-methyl-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazol-5-yl]-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 504.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-methyl-6-[3-methyl-4-[[6-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-oxazol-5-yl]-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 175909860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).