2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine

C31H21F3N6 — CID 58184826

About 2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine

2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine (PubChem CID 58184826) has the molecular formula C31H21F3N6 and a molecular weight of 534.55 g/mol. Its IUPAC name is 2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine.

Molecular Properties

• Compound Name: 2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine
• PubChem CID: 58184826
• Molecular Formula: C31H21F3N6
• Molecular Weight: 534.55 g/mol
• Exact Mass: 534.18
• IUPAC Name: 2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine
• SMILES: Cc1ccn(-c2cccc(C3(c4cccc(-n5ccc(C(F)(F)F)n5)n4)c4ccccc4-c4ccccc43)n2)n1
• InChI: InChI=1S/C31H21F3N6/c1-20-16-18-39(37-20)28-14-6-12-25(35-28)30(23-10-4-2-8-21(23)22-9-3-5-11-24(22)30)26-13-7-15-29(36-26)40-19-17-27(38-40)31(32,33)34/h2-19H,1H3
• InChIKey: WPGMZMRJWFFVFP-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.55
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine?

The IUPAC name of 2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine (CID 58184826) is 2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine.

What is the SMILES notation for 2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine?

The canonical SMILES for 2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine is Cc1ccn(-c2cccc(C3(c4cccc(-n5ccc(C(F)(F)F)n5)n4)c4ccccc4-c4ccccc43)n2)n1.

What is the InChIKey of 2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine?

The InChIKey is WPGMZMRJWFFVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21F3N6/c1-20-16-18-39(37-20)28-14-6-12-25(35-28)30(23-10-4-2-8-21(23)22-9-3-5-11-24(22)30)26-13-7-15-29(36-26)40-19-17-27(38-40)31(32,33)34/h2-19H,1H3.

What are the key properties of 2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine?

2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine has a molecular weight of 534.55 g/mol, XLogP of 6.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine is sourced from PubChem (CID 58184826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).