5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine

C14H17F2N5 — CID 178072549

IUPAC5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
SMILESFC(F)Cn1ncc2nc(N3CCC4(CC3)CC4)cnc21
InChIInChI=1S/C14H17F2N5/c15-11(16)9-21-13-10(7-18-21)19-12(8-17-13)20-5-3-14(1-2-14)4-6-20/h7-8,11H,1-6,9H2
InChIKeyYNMLDHZDNFIQBL-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.47
Rot. Bonds3

About 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine

5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine (PubChem CID 178072549) has the molecular formula C14H17F2N5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
PubChem CID178072549
Molecular FormulaC14H17F2N5
Molecular Weight293.32 g/mol
Exact Mass293.15
IUPAC Name5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
SMILESFC(F)Cn1ncc2nc(N3CCC4(CC3)CC4)cnc21
InChIInChI=1S/C14H17F2N5/c15-11(16)9-21-13-10(7-18-21)19-12(8-17-13)20-5-3-14(1-2-14)4-6-20/h7-8,11H,1-6,9H2
InChIKeyYNMLDHZDNFIQBL-UHFFFAOYSA-N
XLogP2.47
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine with MolForge

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Related Compounds

6-[2-(1-bicyclo[1.1.1]pentanylmethoxy)-6-azaspiro[3.4]octan-6-yl]-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
CID 178013217
1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166105132
1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104422
1-(2,2-difluoroethyl)-6-[3-fluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104474
1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166105168
N-[[(3R,5R)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methyl]bicyclo[1.1.1]pentan-1-amine
CID 166104555
[(3R,6S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-6-methylpiperidin-3-yl]methanol
CID 166105167
1-(2,2-difluoroethyl)-6-[4-[1-[2-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104302
1-(2,2-difluoroethyl)-5-[2-(difluoromethoxy)-4-fluorophenyl]pyrazolo[3,4-b]pyrazine
CID 178072622
2-[[6-(6-azaspiro[2.5]octan-6-yl)-3-(difluoromethyl)pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane
CID 178072673
1-(2,2-difluoroethyl)-6-[(3R)-3-[(1R)-1-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104243
1-(2,2-difluoroethyl)-6-[7-[2-(trifluoromethyl)-4-pyridinyl]-7-azaspiro[3.5]nonan-2-yl]pyrazolo[4,5-d]pyrimidin-7-one
CID 178013228

Frequently Asked Questions

What is the IUPAC name of 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
The IUPAC name of 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine (CID 178072549) is 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine is FC(F)Cn1ncc2nc(N3CCC4(CC3)CC4)cnc21.
What is the InChIKey of 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
The InChIKey is YNMLDHZDNFIQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5/c15-11(16)9-21-13-10(7-18-21)19-12(8-17-13)20-5-3-14(1-2-14)4-6-20/h7-8,11H,1-6,9H2.
What are the key properties of 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?
5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine has a molecular weight of 293.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 178072549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).