1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol

C14H15F2N7O2 — CID 168751899

IUPAC1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol
SMILESOC1(Cn2ncc3ncc(Nc4cc(OC(F)F)n[nH]4)nc32)CCC1
InChIInChI=1S/C14H15F2N7O2/c15-13(16)25-11-4-9(21-22-11)19-10-6-17-8-5-18-23(12(8)20-10)7-14(24)2-1-3-14/h4-6,13,24H,1-3,7H2,(H2,19,20,21,22)
InChIKeyKVJXLKUCQXGVNJ-UHFFFAOYSA-N
MW351.32 g/mol
LogP1.81
Rot. Bonds6

About 1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol

1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol (PubChem CID 168751899) has the molecular formula C14H15F2N7O2 and a molecular weight of 351.32 g/mol. Its IUPAC name is 1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol
PubChem CID168751899
Molecular FormulaC14H15F2N7O2
Molecular Weight351.32 g/mol
Exact Mass351.13
IUPAC Name1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol
SMILESOC1(Cn2ncc3ncc(Nc4cc(OC(F)F)n[nH]4)nc32)CCC1
InChIInChI=1S/C14H15F2N7O2/c15-13(16)25-11-4-9(21-22-11)19-10-6-17-8-5-18-23(12(8)20-10)7-14(24)2-1-3-14/h4-6,13,24H,1-3,7H2,(H2,19,20,21,22)
InChIKeyKVJXLKUCQXGVNJ-UHFFFAOYSA-N
XLogP1.81
TPSA113.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol (CID 168751899) is 1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol is OC1(Cn2ncc3ncc(Nc4cc(OC(F)F)n[nH]4)nc32)CCC1.
What is the InChIKey of 1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol?
The InChIKey is KVJXLKUCQXGVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N7O2/c15-13(16)25-11-4-9(21-22-11)19-10-6-17-8-5-18-23(12(8)20-10)7-14(24)2-1-3-14/h4-6,13,24H,1-3,7H2,(H2,19,20,21,22).
What are the key properties of 1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol?
1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol has a molecular weight of 351.32 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[[3-(difluoromethoxy)-1H-pyrazol-5-yl]amino]pyrazolo[3,4-b]pyrazin-1-yl]methyl]cyclobutan-1-ol is sourced from PubChem (CID 168751899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).