6-[2-[(5R,7E,9E)-9-fluoro-6-methylidene-7-(trifluoromethyl)undeca-7,9-dien-5-yl]-1H-imidazol-5-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine

C26H29F4N5O — CID 148562602

About 6-[2-[(5R,7E,9E)-9-fluoro-6-methylidene-7-(trifluoromethyl)undeca-7,9-dien-5-yl]-1H-imidazol-5-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine

6-[2-[(5R,7E,9E)-9-fluoro-6-methylidene-7-(trifluoromethyl)undeca-7,9-dien-5-yl]-1H-imidazol-5-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine (PubChem CID 148562602) has the molecular formula C26H29F4N5O and a molecular weight of 503.54 g/mol. Its IUPAC name is 6-[2-[(5R,7E,9E)-9-fluoro-6-methylidene-7-(trifluoromethyl)undeca-7,9-dien-5-yl]-1H-imidazol-5-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine.

Molecular Properties

• Compound Name: 6-[2-[(5R,7E,9E)-9-fluoro-6-methylidene-7-(trifluoromethyl)undeca-7,9-dien-5-yl]-1H-imidazol-5-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine
• PubChem CID: 148562602
• Molecular Formula: C26H29F4N5O
• Molecular Weight: 503.54 g/mol
• Exact Mass: 503.23
• IUPAC Name: 6-[2-[(5R,7E,9E)-9-fluoro-6-methylidene-7-(trifluoromethyl)undeca-7,9-dien-5-yl]-1H-imidazol-5-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine
• SMILES: C=C(/C(=C\C(F)=C/C)C(F)(F)F)[C@@H](CCCC)c1ncc(-c2ccc(-n3cnc(C)c3)c(OC)n2)[nH]1
• InChI: InChI=1S/C26H29F4N5O/c1-6-8-9-19(17(4)20(26(28,29)30)12-18(27)7-2)24-31-13-22(33-24)21-10-11-23(25(34-21)36-5)35-14-16(3)32-15-35/h7,10-15,19H,4,6,8-9H2,1-3,5H3,(H,31,33)/b18-7+,20-12+/t19-/m1/s1
• InChIKey: MVHDCWDCWHWZEH-CNTSMVKFSA-N
• XLogP: 7.17
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.54
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5R,7E,9E)-9-fluoro-6-methylidene-7-(trifluoromethyl)undeca-7,9-dien-5-yl]-1H-imidazol-5-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine?

The IUPAC name of 6-[2-[(5R,7E,9E)-9-fluoro-6-methylidene-7-(trifluoromethyl)undeca-7,9-dien-5-yl]-1H-imidazol-5-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine (CID 148562602) is 6-[2-[(5R,7E,9E)-9-fluoro-6-methylidene-7-(trifluoromethyl)undeca-7,9-dien-5-yl]-1H-imidazol-5-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine.

What is the SMILES notation for 6-[2-[(5R,7E,9E)-9-fluoro-6-methylidene-7-(trifluoromethyl)undeca-7,9-dien-5-yl]-1H-imidazol-5-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine?

The canonical SMILES for 6-[2-[(5R,7E,9E)-9-fluoro-6-methylidene-7-(trifluoromethyl)undeca-7,9-dien-5-yl]-1H-imidazol-5-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine is C=C(/C(=C\C(F)=C/C)C(F)(F)F)[C@@H](CCCC)c1ncc(-c2ccc(-n3cnc(C)c3)c(OC)n2)[nH]1.

What is the InChIKey of 6-[2-[(5R,7E,9E)-9-fluoro-6-methylidene-7-(trifluoromethyl)undeca-7,9-dien-5-yl]-1H-imidazol-5-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine?

The InChIKey is MVHDCWDCWHWZEH-CNTSMVKFSA-N. The full InChI is InChI=1S/C26H29F4N5O/c1-6-8-9-19(17(4)20(26(28,29)30)12-18(27)7-2)24-31-13-22(33-24)21-10-11-23(25(34-21)36-5)35-14-16(3)32-15-35/h7,10-15,19H,4,6,8-9H2,1-3,5H3,(H,31,33)/b18-7+,20-12+/t19-/m1/s1.

What are the key properties of 6-[2-[(5R,7E,9E)-9-fluoro-6-methylidene-7-(trifluoromethyl)undeca-7,9-dien-5-yl]-1H-imidazol-5-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine?

6-[2-[(5R,7E,9E)-9-fluoro-6-methylidene-7-(trifluoromethyl)undeca-7,9-dien-5-yl]-1H-imidazol-5-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine has a molecular weight of 503.54 g/mol, XLogP of 7.17, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(5R,7E,9E)-9-fluoro-6-methylidene-7-(trifluoromethyl)undeca-7,9-dien-5-yl]-1H-imidazol-5-yl]-2-methoxy-3-(4-methylimidazol-1-yl)pyridine is sourced from PubChem (CID 148562602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).