1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine

C12H15F2N5 — CID 166104195

IUPAC1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine
SMILESFC(F)Cn1ncc2ncc(N3CCCCC3)nc21
InChIInChI=1S/C12H15F2N5/c13-10(14)8-19-12-9(6-16-19)15-7-11(17-12)18-4-2-1-3-5-18/h6-7,10H,1-5,8H2
InChIKeyFOQSBSIBYVWRBF-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.08
Rot. Bonds3

About 1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine

1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine (PubChem CID 166104195) has the molecular formula C12H15F2N5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine
PubChem CID166104195
Molecular FormulaC12H15F2N5
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC Name1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine
SMILESFC(F)Cn1ncc2ncc(N3CCCCC3)nc21
InChIInChI=1S/C12H15F2N5/c13-10(14)8-19-12-9(6-16-19)15-7-11(17-12)18-4-2-1-3-5-18/h6-7,10H,1-5,8H2
InChIKeyFOQSBSIBYVWRBF-UHFFFAOYSA-N
XLogP2.08
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine (CID 166104195) is 1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine is FC(F)Cn1ncc2ncc(N3CCCCC3)nc21.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine?
The InChIKey is FOQSBSIBYVWRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5/c13-10(14)8-19-12-9(6-16-19)15-7-11(17-12)18-4-2-1-3-5-18/h6-7,10H,1-5,8H2.
What are the key properties of 1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine?
1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine has a molecular weight of 267.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 166104195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).