3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol

C17H18N8O — CID 155207355

IUPAC3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol
SMILESCn1cc(-c2cn3nccc3c(-c3cn(C4CC(O)C4)nc3N)n2)cn1
InChIInChI=1S/C17H18N8O/c1-23-7-10(6-20-23)14-9-25-15(2-3-19-25)16(21-14)13-8-24(22-17(13)18)11-4-12(26)5-11/h2-3,6-9,11-12,26H,4-5H2,1H3,(H2,18,22)
InChIKeyBYBBFOIWKTYAOA-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.27
Rot. Bonds3

About 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol

3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol (PubChem CID 155207355) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol
PubChem CID155207355
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol
SMILESCn1cc(-c2cn3nccc3c(-c3cn(C4CC(O)C4)nc3N)n2)cn1
InChIInChI=1S/C17H18N8O/c1-23-7-10(6-20-23)14-9-25-15(2-3-19-25)16(21-14)13-8-24(22-17(13)18)11-4-12(26)5-11/h2-3,6-9,11-12,26H,4-5H2,1H3,(H2,18,22)
InChIKeyBYBBFOIWKTYAOA-UHFFFAOYSA-N
XLogP1.27
TPSA112.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol?
The IUPAC name of 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol (CID 155207355) is 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol is Cn1cc(-c2cn3nccc3c(-c3cn(C4CC(O)C4)nc3N)n2)cn1.
What is the InChIKey of 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol?
The InChIKey is BYBBFOIWKTYAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c1-23-7-10(6-20-23)14-9-25-15(2-3-19-25)16(21-14)13-8-24(22-17(13)18)11-4-12(26)5-11/h2-3,6-9,11-12,26H,4-5H2,1H3,(H2,18,22).
What are the key properties of 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol?
3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol has a molecular weight of 350.39 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutan-1-ol is sourced from PubChem (CID 155207355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).