N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide

C26H26F4N8O3 — CID 134454048

About N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide

N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 134454048) has the molecular formula C26H26F4N8O3 and a molecular weight of 574.54 g/mol. Its IUPAC name is N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
• PubChem CID: 134454048
• Molecular Formula: C26H26F4N8O3
• Molecular Weight: 574.54 g/mol
• Exact Mass: 574.21
• IUPAC Name: N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
• SMILES: O=C(Nc1cn(C2CCC(N3CCOCC3)CC2)nc1-c1nc(C(F)(F)F)ccc1F)c1coc(-c2cn[nH]c2)n1
• InChI: InChI=1S/C26H26F4N8O3/c27-18-5-6-21(26(28,29)30)35-22(18)23-19(33-24(39)20-14-41-25(34-20)15-11-31-32-12-15)13-38(36-23)17-3-1-16(2-4-17)37-7-9-40-10-8-37/h5-6,11-14,16-17H,1-4,7-10H2,(H,31,32)(H,33,39)
• InChIKey: YBKXZYMQXJLXGW-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 126.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.54
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 134454048) is N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is O=C(Nc1cn(C2CCC(N3CCOCC3)CC2)nc1-c1nc(C(F)(F)F)ccc1F)c1coc(-c2cn[nH]c2)n1.

What is the InChIKey of N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?

The InChIKey is YBKXZYMQXJLXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4N8O3/c27-18-5-6-21(26(28,29)30)35-22(18)23-19(33-24(39)20-14-41-25(34-20)15-11-31-32-12-15)13-38(36-23)17-3-1-16(2-4-17)37-7-9-40-10-8-37/h5-6,11-14,16-17H,1-4,7-10H2,(H,31,32)(H,33,39).

What are the key properties of N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide?

N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 574.54 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-fluoro-6-(trifluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 134454048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).