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

C26H28F2N8O3 — CID 167379772

About N-[3-[3-fluoro-6-(fluoromethyl)-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-(fluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 167379772) has the molecular formula C26H28F2N8O3 and a molecular weight of 538.56 g/mol. Its IUPAC name is N-[3-[3-fluoro-6-(fluoromethyl)-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-(fluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
• PubChem CID: 167379772
• Molecular Formula: C26H28F2N8O3
• Molecular Weight: 538.56 g/mol
• Exact Mass: 538.23
• IUPAC Name: N-[3-[3-fluoro-6-(fluoromethyl)-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(CF)ccc1F)c1coc(-c2cn[nH]c2)n1
• InChI: InChI=1S/C26H28F2N8O3/c27-11-17-1-6-20(28)23(31-17)24-21(32-25(37)22-15-39-26(33-22)16-12-29-30-13-16)14-36(34-24)19-4-2-18(3-5-19)35-7-9-38-10-8-35/h1,6,12-15,18-19H,2-5,7-11H2,(H,29,30)(H,32,37)
• InChIKey: RGBKZGVYCDLPIT-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 126.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.56
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-fluoro-6-(fluoromethyl)-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-(fluoromethyl)-2-pyridinyl]-1-(4-morpholin-4-ylcyclohexyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 167379772) is N-[3-[3-fluoro-6-(fluoromethyl)-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-(fluoromethyl)-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-(fluoromethyl)-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(CF)ccc1F)c1coc(-c2cn[nH]c2)n1.

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

The InChIKey is RGBKZGVYCDLPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N8O3/c27-11-17-1-6-20(28)23(31-17)24-21(32-25(37)22-15-39-26(33-22)16-12-29-30-13-16)14-36(34-24)19-4-2-18(3-5-19)35-7-9-38-10-8-35/h1,6,12-15,18-19H,2-5,7-11H2,(H,29,30)(H,32,37).

What are the key properties of N-[3-[3-fluoro-6-(fluoromethyl)-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-(fluoromethyl)-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 538.56 g/mol, XLogP of 4.00, 7 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-(fluoromethyl)-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 167379772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).