6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine

C15H20F2N6O — CID 166105213

IUPAC6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
SMILESFC(F)Cn1ncc2ncc(N3CCC(OC4CNC4)CC3)nc21
InChIInChI=1S/C15H20F2N6O/c16-13(17)9-23-15-12(7-20-23)19-8-14(21-15)22-3-1-10(2-4-22)24-11-5-18-6-11/h7-8,10-11,13,18H,1-6,9H2
InChIKeyGDJJGWGMJKXGMG-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.05
Rot. Bonds5

About 6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine

6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine (PubChem CID 166105213) has the molecular formula C15H20F2N6O and a molecular weight of 338.36 g/mol. Its IUPAC name is 6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
PubChem CID166105213
Molecular FormulaC15H20F2N6O
Molecular Weight338.36 g/mol
Exact Mass338.17
IUPAC Name6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
SMILESFC(F)Cn1ncc2ncc(N3CCC(OC4CNC4)CC3)nc21
InChIInChI=1S/C15H20F2N6O/c16-13(17)9-23-15-12(7-20-23)19-8-14(21-15)22-3-1-10(2-4-22)24-11-5-18-6-11/h7-8,10-11,13,18H,1-6,9H2
InChIKeyGDJJGWGMJKXGMG-UHFFFAOYSA-N
XLogP1.05
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine (CID 166105213) is 6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine is FC(F)Cn1ncc2ncc(N3CCC(OC4CNC4)CC3)nc21.
What is the InChIKey of 6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
The InChIKey is GDJJGWGMJKXGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N6O/c16-13(17)9-23-15-12(7-20-23)19-8-14(21-15)22-3-1-10(2-4-22)24-11-5-18-6-11/h7-8,10-11,13,18H,1-6,9H2.
What are the key properties of 6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine has a molecular weight of 338.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(azetidin-3-yloxy)piperidin-1-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 166105213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).