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1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol

C21H27FN4O2 — CID 90310710

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCC(O)CN3CCCC3)c2F)cn1
InChIInChI=1S/C21H27FN4O2/c22-20-17(18-10-25-19(23)11-24-18)7-6-16(14-4-3-5-14)21(20)28-13-15(27)12-26-8-1-2-9-26/h6-7,10-11,14-15,27H,1-5,8-9,12-13H2,(H2,23,25)
InChIKeyOSFXOWAGRCEHBU-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.97
Rot. Bonds7

About 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol

1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 90310710) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID90310710
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCC(O)CN3CCCC3)c2F)cn1
InChIInChI=1S/C21H27FN4O2/c22-20-17(18-10-25-19(23)11-24-18)7-6-16(14-4-3-5-14)21(20)28-13-15(27)12-26-8-1-2-9-26/h6-7,10-11,14-15,27H,1-5,8-9,12-13H2,(H2,23,25)
InChIKeyOSFXOWAGRCEHBU-UHFFFAOYSA-N
XLogP2.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol (CID 90310710) is 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol is Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)CN3CCCC3)c2F)cn1.
What is the InChIKey of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is OSFXOWAGRCEHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c22-20-17(18-10-25-19(23)11-24-18)7-6-16(14-4-3-5-14)21(20)28-13-15(27)12-26-8-1-2-9-26/h6-7,10-11,14-15,27H,1-5,8-9,12-13H2,(H2,23,25).
What are the key properties of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 386.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 90310710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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