1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol

C22H24N8O2 — CID 66824640

IUPAC1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)nc4)CCC3)no2)cn1
InChIInChI=1S/C22H24N8O2/c1-21(2,31)13-30-12-14(8-27-30)19-28-20(29-32-19)22(6-3-7-22)15-4-5-16(24-9-15)17-10-26-18(23)11-25-17/h4-5,8-12,31H,3,6-7,13H2,1-2H3,(H2,23,26)
InChIKeyKHROMXIOJHGTAD-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.61
Rot. Bonds6

About 1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 66824640) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID66824640
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)nc4)CCC3)no2)cn1
InChIInChI=1S/C22H24N8O2/c1-21(2,31)13-30-12-14(8-27-30)19-28-20(29-32-19)22(6-3-7-22)15-4-5-16(24-9-15)17-10-26-18(23)11-25-17/h4-5,8-12,31H,3,6-7,13H2,1-2H3,(H2,23,26)
InChIKeyKHROMXIOJHGTAD-UHFFFAOYSA-N
XLogP2.61
TPSA141.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 66824640) is 1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)cn5)nc4)CCC3)no2)cn1.
What is the InChIKey of 1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is KHROMXIOJHGTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-21(2,31)13-30-12-14(8-27-30)19-28-20(29-32-19)22(6-3-7-22)15-4-5-16(24-9-15)17-10-26-18(23)11-25-17/h4-5,8-12,31H,3,6-7,13H2,1-2H3,(H2,23,26).
What are the key properties of 1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 432.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 66824640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).