2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid

C28H23F8N7O5 — CID 159694950

About 2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid

2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 159694950) has the molecular formula C28H23F8N7O5 and a molecular weight of 689.52 g/mol. Its IUPAC name is 2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 159694950
• Molecular Formula: C28H23F8N7O5
• Molecular Weight: 689.52 g/mol
• Exact Mass: 689.16
• IUPAC Name: 2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
• SMILES: NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1F.O=C(O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1F
• InChI: InChI=1S/C14H12F4N4O2.C14H11F4N3O3/c15-11-8(12(19)23)1-2-9(20-11)22-6-3-10(21-22)24-7-13(4-5-13)14(16,17)18;15-11-8(12(22)23)1-2-9(19-11)21-6-3-10(20-21)24-7-13(4-5-13)14(16,17)18/h1-3,6H,4-5,7H2,(H2,19,23);1-3,6H,4-5,7H2,(H,22,23)
• InChIKey: MWWRKLACQQXURA-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 160.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.52
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid (CID 159694950) is 2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid is NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1F.O=C(O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1F.

What is the InChIKey of 2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?

The InChIKey is MWWRKLACQQXURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N4O2.C14H11F4N3O3/c15-11-8(12(19)23)1-2-9(20-11)22-6-3-10(21-22)24-7-13(4-5-13)14(16,17)18;15-11-8(12(22)23)1-2-9(19-11)21-6-3-10(20-21)24-7-13(4-5-13)14(16,17)18/h1-3,6H,4-5,7H2,(H2,19,23);1-3,6H,4-5,7H2,(H,22,23).

What are the key properties of 2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid?

2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 689.52 g/mol, XLogP of 5.05, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 159694950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).