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

C21H24FN5O — CID 167368354

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

5-[5-[[(2R,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-1-methylindol-4-ol (PubChem CID 167368354) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-[5-[[(2R,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-1-methylindol-4-ol.

Molecular Properties

• Compound Name: 5-[5-[[(2R,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-1-methylindol-4-ol
• PubChem CID: 167368354
• Molecular Formula: C21H24FN5O
• Molecular Weight: 381.46 g/mol
• Exact Mass: 381.20
• IUPAC Name: 5-[5-[[(2R,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-1-methylindol-4-ol
• SMILES: CN(c1cnc(-c2ccc3c(ccn3C)c2O)cn1)[C@H]1CC2CCC(N2)[C@H]1F
• InChI: InChI=1S/C21H24FN5O/c1-26-8-7-14-17(26)6-4-13(21(14)28)16-10-24-19(11-23-16)27(2)18-9-12-3-5-15(25-12)20(18)22/h4,6-8,10-12,15,18,20,25,28H,3,5,9H2,1-2H3/t12?,15?,18-,20+/m0/s1
• InChIKey: PHHLNUFSFGUXGN-JTPAELBQSA-N
• XLogP: 3.01
• TPSA: 66.21 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	381.46
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[5-[[(2R,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-1-methylindol-4-ol (CID 167368354) is 5-[5-[[(2R,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-1-methylindol-4-ol.

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

The canonical SMILES for 5-[5-[[(2R,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-1-methylindol-4-ol is CN(c1cnc(-c2ccc3c(ccn3C)c2O)cn1)[C@H]1CC2CCC(N2)[C@H]1F.

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

The InChIKey is PHHLNUFSFGUXGN-JTPAELBQSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-26-8-7-14-17(26)6-4-13(21(14)28)16-10-24-19(11-23-16)27(2)18-9-12-3-5-15(25-12)20(18)22/h4,6-8,10-12,15,18,20,25,28H,3,5,9H2,1-2H3/t12?,15?,18-,20+/m0/s1.

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

5-[5-[[(2R,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-1-methylindol-4-ol has a molecular weight of 381.46 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[[(2R,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-1-methylindol-4-ol is sourced from PubChem (CID 167368354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).