2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol

C21H20FN5O — CID 167368571

About 2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol

2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol (PubChem CID 167368571) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol.

Molecular Properties

• Compound Name: 2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
• PubChem CID: 167368571
• Molecular Formula: C21H20FN5O
• Molecular Weight: 377.42 g/mol
• Exact Mass: 377.17
• IUPAC Name: 2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol
• SMILES: Oc1cc(-n2ccnc2)ccc1-c1cnc(/C=C2/CC3CCC(N3)[C@H]2F)cn1
• InChI: InChI=1S/C21H20FN5O/c22-21-13(7-14-1-4-18(21)26-14)8-15-10-25-19(11-24-15)17-3-2-16(9-20(17)28)27-6-5-23-12-27/h2-3,5-6,8-12,14,18,21,26,28H,1,4,7H2/b13-8-/t14?,18?,21-/m0/s1
• InChIKey: PBBASZDQCIJQRH-ZERYYZLYSA-N
• XLogP: 3.28
• TPSA: 75.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.42
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol?

The IUPAC name of 2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol (CID 167368571) is 2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol.

What is the SMILES notation for 2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol?

The canonical SMILES for 2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol is Oc1cc(-n2ccnc2)ccc1-c1cnc(/C=C2/CC3CCC(N3)[C@H]2F)cn1.

What is the InChIKey of 2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol?

The InChIKey is PBBASZDQCIJQRH-ZERYYZLYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-21-13(7-14-1-4-18(21)26-14)8-15-10-25-19(11-24-15)17-3-2-16(9-20(17)28)27-6-5-23-12-27/h2-3,5-6,8-12,14,18,21,26,28H,1,4,7H2/b13-8-/t14?,18?,21-/m0/s1.

What are the key properties of 2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol?

2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol has a molecular weight of 377.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(Z)-[(2S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]pyrazin-2-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 167368571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).