N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine

C14H15F2N7O2 — CID 168751905

IUPACN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine
SMILESFC(F)Oc1cc(Nc2cnc3cnn(C4CCOCC4)c3n2)[nH]n1
InChIInChI=1S/C14H15F2N7O2/c15-14(16)25-12-5-10(21-22-12)19-11-7-17-9-6-18-23(13(9)20-11)8-1-3-24-4-2-8/h5-8,14H,1-4H2,(H2,19,20,21,22)
InChIKeyPFILTKONWRXMSI-UHFFFAOYSA-N
MW351.32 g/mol
LogP2.25
Rot. Bonds5

About N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine

N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 168751905) has the molecular formula C14H15F2N7O2 and a molecular weight of 351.32 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID168751905
Molecular FormulaC14H15F2N7O2
Molecular Weight351.32 g/mol
Exact Mass351.13
IUPAC NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine
SMILESFC(F)Oc1cc(Nc2cnc3cnn(C4CCOCC4)c3n2)[nH]n1
InChIInChI=1S/C14H15F2N7O2/c15-14(16)25-12-5-10(21-22-12)19-11-7-17-9-6-18-23(13(9)20-11)8-1-3-24-4-2-8/h5-8,14H,1-4H2,(H2,19,20,21,22)
InChIKeyPFILTKONWRXMSI-UHFFFAOYSA-N
XLogP2.25
TPSA102.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine (CID 168751905) is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine is FC(F)Oc1cc(Nc2cnc3cnn(C4CCOCC4)c3n2)[nH]n1.
What is the InChIKey of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is PFILTKONWRXMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N7O2/c15-14(16)25-12-5-10(21-22-12)19-11-7-17-9-6-18-23(13(9)20-11)8-1-3-24-4-2-8/h5-8,14H,1-4H2,(H2,19,20,21,22).
What are the key properties of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine?
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 351.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-(oxan-4-yl)pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 168751905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).