[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone

C14H13N7O — CID 95845101

IUPAC[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone
SMILESCn1nc(C2CN(C(=O)c3cnccn3)C2)c2nccnc21
InChIInChI=1S/C14H13N7O/c1-20-13-12(17-4-5-18-13)11(19-20)9-7-21(8-9)14(22)10-6-15-2-3-16-10/h2-6,9H,7-8H2,1H3
InChIKeyGLECESVKFGDDDB-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.39
Rot. Bonds2

About [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone

[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 95845101) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID95845101
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone
SMILESCn1nc(C2CN(C(=O)c3cnccn3)C2)c2nccnc21
InChIInChI=1S/C14H13N7O/c1-20-13-12(17-4-5-18-13)11(19-20)9-7-21(8-9)14(22)10-6-15-2-3-16-10/h2-6,9H,7-8H2,1H3
InChIKeyGLECESVKFGDDDB-UHFFFAOYSA-N
XLogP0.39
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone (CID 95845101) is [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone is Cn1nc(C2CN(C(=O)c3cnccn3)C2)c2nccnc21.
What is the InChIKey of [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is GLECESVKFGDDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c1-20-13-12(17-4-5-18-13)11(19-20)9-7-21(8-9)14(22)10-6-15-2-3-16-10/h2-6,9H,7-8H2,1H3.
What are the key properties of [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone?
[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 295.31 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95845101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).