5-[(6-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

C25H23FN6O2 — CID 135348076

About 5-[(6-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

5-[(6-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 135348076) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 5-[(6-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 5-[(6-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
• PubChem CID: 135348076
• Molecular Formula: C25H23FN6O2
• Molecular Weight: 458.50 g/mol
• Exact Mass: 458.19
• IUPAC Name: 5-[(6-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
• SMILES: CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3cccc(C4CC4)n3)ccc2F)n1
• InChI: InChI=1S/C25H23FN6O2/c1-15(2)32-14-27-31-24(32)21-6-3-7-22(28-21)30-25(33)18-13-17(11-12-19(18)26)34-23-8-4-5-20(29-23)16-9-10-16/h3-8,11-16H,9-10H2,1-2H3,(H,28,30,33)
• InChIKey: HKZSUXWWUBFWTN-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 94.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.50
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(6-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

The IUPAC name of 5-[(6-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 135348076) is 5-[(6-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

What is the SMILES notation for 5-[(6-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

The canonical SMILES for 5-[(6-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3cccc(C4CC4)n3)ccc2F)n1.

What is the InChIKey of 5-[(6-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

The InChIKey is HKZSUXWWUBFWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-15(2)32-14-27-31-24(32)21-6-3-7-22(28-21)30-25(33)18-13-17(11-12-19(18)26)34-23-8-4-5-20(29-23)16-9-10-16/h3-8,11-16H,9-10H2,1-2H3,(H,28,30,33).

What are the key properties of 5-[(6-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

5-[(6-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 458.50 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(6-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 135348076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).