2-[5-[[(1R,2S,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(2-methyltriazol-4-yl)phenol

C23H28FN7O — CID 167368012

About 2-[5-[[(1R,2S,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(2-methyltriazol-4-yl)phenol

2-[5-[[(1R,2S,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(2-methyltriazol-4-yl)phenol (PubChem CID 167368012) has the molecular formula C23H28FN7O and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-[5-[[(1R,2S,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(2-methyltriazol-4-yl)phenol.

Molecular Properties

• Compound Name: 2-[5-[[(1R,2S,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(2-methyltriazol-4-yl)phenol
• PubChem CID: 167368012
• Molecular Formula: C23H28FN7O
• Molecular Weight: 437.52 g/mol
• Exact Mass: 437.23
• IUPAC Name: 2-[5-[[(1R,2S,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(2-methyltriazol-4-yl)phenol
• SMILES: CN(c1cnc(-c2ccc(-c3cnn(C)n3)cc2O)cn1)[C@H]1C[C@]2(C)CC[C@@](C)(N2)[C@H]1F
• InChI: InChI=1S/C23H28FN7O/c1-22-7-8-23(2,29-22)21(24)18(10-22)30(3)20-13-25-17(11-26-20)15-6-5-14(9-19(15)32)16-12-27-31(4)28-16/h5-6,9,11-13,18,21,29,32H,7-8,10H2,1-4H3/t18-,21-,22-,23+/m0/s1
• InChIKey: FGZOKUBOZWNJRC-FDTGPBLFSA-N
• XLogP: 3.09
• TPSA: 91.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.52
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(1R,2S,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(2-methyltriazol-4-yl)phenol?

The IUPAC name of 2-[5-[[(1R,2S,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(2-methyltriazol-4-yl)phenol (CID 167368012) is 2-[5-[[(1R,2S,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(2-methyltriazol-4-yl)phenol.

What is the SMILES notation for 2-[5-[[(1R,2S,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(2-methyltriazol-4-yl)phenol?

The canonical SMILES for 2-[5-[[(1R,2S,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(2-methyltriazol-4-yl)phenol is CN(c1cnc(-c2ccc(-c3cnn(C)n3)cc2O)cn1)[C@H]1C[C@]2(C)CC[C@@](C)(N2)[C@H]1F.

What is the InChIKey of 2-[5-[[(1R,2S,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(2-methyltriazol-4-yl)phenol?

The InChIKey is FGZOKUBOZWNJRC-FDTGPBLFSA-N. The full InChI is InChI=1S/C23H28FN7O/c1-22-7-8-23(2,29-22)21(24)18(10-22)30(3)20-13-25-17(11-26-20)15-6-5-14(9-19(15)32)16-12-27-31(4)28-16/h5-6,9,11-13,18,21,29,32H,7-8,10H2,1-4H3/t18-,21-,22-,23+/m0/s1.

What are the key properties of 2-[5-[[(1R,2S,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(2-methyltriazol-4-yl)phenol?

2-[5-[[(1R,2S,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(2-methyltriazol-4-yl)phenol has a molecular weight of 437.52 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[[(1R,2S,3S,5S)-2-fluoro-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(2-methyltriazol-4-yl)phenol is sourced from PubChem (CID 167368012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).