4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine

C21H18F4N6 — CID 158279519

About 4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine

4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 158279519) has the molecular formula C21H18F4N6 and a molecular weight of 430.41 g/mol. Its IUPAC name is 4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine.

Molecular Properties

• Compound Name: 4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine
• PubChem CID: 158279519
• Molecular Formula: C21H18F4N6
• Molecular Weight: 430.41 g/mol
• Exact Mass: 430.15
• IUPAC Name: 4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine
• SMILES: Cc1ccn(-c2cc(F)cc(C(C)(C)c3cccc(-n4ccc(C(F)(F)F)n4)n3)n2)n1
• InChI: InChI=1S/C21H18F4N6/c1-13-7-9-31(28-13)19-12-14(22)11-17(27-19)20(2,3)15-5-4-6-18(26-15)30-10-8-16(29-30)21(23,24)25/h4-12H,1-3H3
• InChIKey: GZMHOHCSWIYMLS-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.41
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

The IUPAC name of 4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine (CID 158279519) is 4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine.

What is the SMILES notation for 4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

The canonical SMILES for 4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine is Cc1ccn(-c2cc(F)cc(C(C)(C)c3cccc(-n4ccc(C(F)(F)F)n4)n3)n2)n1.

What is the InChIKey of 4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

The InChIKey is GZMHOHCSWIYMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N6/c1-13-7-9-31(28-13)19-12-14(22)11-17(27-19)20(2,3)15-5-4-6-18(26-15)30-10-8-16(29-30)21(23,24)25/h4-12H,1-3H3.

What are the key properties of 4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine?

4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 430.41 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 158279519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).