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

C20H22FN5O2 — CID 90310942

IUPAC1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrazol-1-ylpropan-2-ol
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3cccn3)c2F)cn1
InChIInChI=1S/C20H22FN5O2/c21-19-16(17-9-24-18(22)10-23-17)6-5-15(13-3-1-4-13)20(19)28-12-14(27)11-26-8-2-7-25-26/h2,5-10,13-14,27H,1,3-4,11-12H2,(H2,22,24)
InChIKeyVXYDOCANENWBNX-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.77
Rot. Bonds7

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

1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 90310942) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrazol-1-ylpropan-2-ol
PubChem CID90310942
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrazol-1-ylpropan-2-ol
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3cccn3)c2F)cn1
InChIInChI=1S/C20H22FN5O2/c21-19-16(17-9-24-18(22)10-23-17)6-5-15(13-3-1-4-13)20(19)28-12-14(27)11-26-8-2-7-25-26/h2,5-10,13-14,27H,1,3-4,11-12H2,(H2,22,24)
InChIKeyVXYDOCANENWBNX-UHFFFAOYSA-N
XLogP2.77
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrazol-1-ylpropan-2-ol (CID 90310942) is 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrazol-1-ylpropan-2-ol is Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3cccn3)c2F)cn1.
What is the InChIKey of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is VXYDOCANENWBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c21-19-16(17-9-24-18(22)10-23-17)6-5-15(13-3-1-4-13)20(19)28-12-14(27)11-26-8-2-7-25-26/h2,5-10,13-14,27H,1,3-4,11-12H2,(H2,22,24).
What are the key properties of 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrazol-1-ylpropan-2-ol?
1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 383.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 90310942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).