1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol

C21H23FN6O2 — CID 142794941

About 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol

1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol (PubChem CID 142794941) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol.

Molecular Properties

• Compound Name: 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol
• PubChem CID: 142794941
• Molecular Formula: C21H23FN6O2
• Molecular Weight: 410.45 g/mol
• Exact Mass: 410.19
• IUPAC Name: 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol
• SMILES: Nc1cnc(C2CC(c3ccc(OCC(O)CNc4cnccn4)c(F)c3)C2)cn1
• InChI: InChI=1S/C21H23FN6O2/c22-17-7-13(14-5-15(6-14)18-9-27-20(23)10-26-18)1-2-19(17)30-12-16(29)8-28-21-11-24-3-4-25-21/h1-4,7,9-11,14-16,29H,5-6,8,12H2,(H2,23,27)(H,25,28)
• InChIKey: DJOKXNDFRIDEPR-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 119.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.45
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol?

The IUPAC name of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol (CID 142794941) is 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol.

What is the SMILES notation for 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol?

The canonical SMILES for 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol is Nc1cnc(C2CC(c3ccc(OCC(O)CNc4cnccn4)c(F)c3)C2)cn1.

What is the InChIKey of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol?

The InChIKey is DJOKXNDFRIDEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c22-17-7-13(14-5-15(6-14)18-9-27-20(23)10-26-18)1-2-19(17)30-12-16(29)8-28-21-11-24-3-4-25-21/h1-4,7,9-11,14-16,29H,5-6,8,12H2,(H2,23,27)(H,25,28).

What are the key properties of 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol?

1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol has a molecular weight of 410.45 g/mol, XLogP of 2.50, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-(5-aminopyrazin-2-yl)cyclobutyl]-2-fluorophenoxy]-3-(pyrazin-2-ylamino)propan-2-ol is sourced from PubChem (CID 142794941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).