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

C14H15F2N7O2 — CID 168751893

IUPACN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESCC1(Cn2ncc3ncc(Nc4cc(OC(F)F)n[nH]4)nc32)COC1
InChIInChI=1S/C14H15F2N7O2/c1-14(6-24-7-14)5-23-12-8(3-18-23)17-4-10(20-12)19-9-2-11(22-21-9)25-13(15)16/h2-4,13H,5-7H2,1H3,(H2,19,20,21,22)
InChIKeyVIOJEERCJMOKJL-UHFFFAOYSA-N
MW351.32 g/mol
LogP1.93
Rot. Bonds6

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

N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 168751893) 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-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID168751893
Molecular FormulaC14H15F2N7O2
Molecular Weight351.32 g/mol
Exact Mass351.13
IUPAC NameN-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESCC1(Cn2ncc3ncc(Nc4cc(OC(F)F)n[nH]4)nc32)COC1
InChIInChI=1S/C14H15F2N7O2/c1-14(6-24-7-14)5-23-12-8(3-18-23)17-4-10(20-12)19-9-2-11(22-21-9)25-13(15)16/h2-4,13H,5-7H2,1H3,(H2,19,20,21,22)
InChIKeyVIOJEERCJMOKJL-UHFFFAOYSA-N
XLogP1.93
TPSA102.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 51.93
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-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-b]pyrazin-6-amine (CID 168751893) is N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-b]pyrazin-6-amine is CC1(Cn2ncc3ncc(Nc4cc(OC(F)F)n[nH]4)nc32)COC1.
What is the InChIKey of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is VIOJEERCJMOKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N7O2/c1-14(6-24-7-14)5-23-12-8(3-18-23)17-4-10(20-12)19-9-2-11(22-21-9)25-13(15)16/h2-4,13H,5-7H2,1H3,(H2,19,20,21,22).
What are the key properties of N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-b]pyrazin-6-amine?
N-[3-(difluoromethoxy)-1H-pyrazol-5-yl]-1-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 351.32 g/mol, XLogP of 1.93, 6 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-[(3-methyloxetan-3-yl)methyl]pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 168751893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).