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

C25H23FN6O2 — CID 135348089

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

5-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 135348089) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 5-[(5-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-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
• PubChem CID: 135348089
• Molecular Formula: C25H23FN6O2
• Molecular Weight: 458.50 g/mol
• Exact Mass: 458.19
• IUPAC Name: 5-[(5-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(Oc3ccc(C4CC4)cn3)ccc2F)n1
• InChI: InChI=1S/C25H23FN6O2/c1-15(2)32-14-28-31-24(32)21-4-3-5-22(29-21)30-25(33)19-12-18(9-10-20(19)26)34-23-11-8-17(13-27-23)16-6-7-16/h3-5,8-16H,6-7H2,1-2H3,(H,29,30,33)
• InChIKey: OSZZFYBMLNJUOJ-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-[(5-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-[(5-cyclopropyl-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 135348089) is 5-[(5-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-[(5-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-[(5-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(Oc3ccc(C4CC4)cn3)ccc2F)n1.

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

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

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

5-[(5-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-[(5-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 135348089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).