N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide

C₂₅H₂₉F₃N₆O₃ — CID 162362247

About N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide

N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide (PubChem CID 162362247) has the molecular formula C₂₅H₂₉F₃N₆O₃ and a molecular weight of 518.54 g/mol. Its IUPAC name is N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide
• PubChem CID: 162362247
• Molecular Formula: C₂₅H₂₉F₃N₆O₃
• Molecular Weight: 518.54 g/mol
• Exact Mass: 518.23
• IUPAC Name: N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide
• SMILES: CCc1nocc1C(=O)NC(C(=O)Nc1ccc(-c2c(C)cnn2C)cn1)C1CCC(C(F)(F)F)CC1
• InChI: InChI=1S/C25H29F3N6O3/c1-4-19-18(13-37-33-19)23(35)32-21(15-5-8-17(9-6-15)25(26,27)28)24(36)31-20-10-7-16(12-29-20)22-14(2)11-30-34(22)3/h7,10-13,15,17,21H,4-6,8-9H2,1-3H3,(H,32,35)(H,29,31,36)
• InChIKey: YKJGGADSVOCHSY-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 114.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.54
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide?

The IUPAC name of N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide (CID 162362247) is N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide is CCc1nocc1C(=O)NC(C(=O)Nc1ccc(-c2c(C)cnn2C)cn1)C1CCC(C(F)(F)F)CC1.

What is the InChIKey of N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide?

The InChIKey is YKJGGADSVOCHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6O3/c1-4-19-18(13-37-33-19)23(35)32-21(15-5-8-17(9-6-15)25(26,27)28)24(36)31-20-10-7-16(12-29-20)22-14(2)11-30-34(22)3/h7,10-13,15,17,21H,4-6,8-9H2,1-3H3,(H,32,35)(H,29,31,36).

What are the key properties of N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide?

N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide has a molecular weight of 518.54 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-(1,4-dimethylpyrazol-5-yl)-2-pyridinyl]amino]-2-oxo-1-[4-(trifluoromethyl)cyclohexyl]ethyl]-3-ethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 162362247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162362247 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.