1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine

C18H17F5N6O — CID 166105132

IUPAC1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
SMILESFC(F)Cn1ncc2ncc(N3CCC(Oc4cccnc4C(F)(F)F)CC3)nc21
InChIInChI=1S/C18H17F5N6O/c19-14(20)10-29-17-12(8-26-29)25-9-15(27-17)28-6-3-11(4-7-28)30-13-2-1-5-24-16(13)18(21,22)23/h1-2,5,8-9,11,14H,3-4,6-7,10H2
InChIKeyCUJNQTMFYFJGHO-UHFFFAOYSA-N
MW428.37 g/mol
LogP3.55
Rot. Bonds5

About 1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine

1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine (PubChem CID 166105132) has the molecular formula C18H17F5N6O and a molecular weight of 428.37 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
PubChem CID166105132
Molecular FormulaC18H17F5N6O
Molecular Weight428.37 g/mol
Exact Mass428.14
IUPAC Name1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
SMILESFC(F)Cn1ncc2ncc(N3CCC(Oc4cccnc4C(F)(F)F)CC3)nc21
InChIInChI=1S/C18H17F5N6O/c19-14(20)10-29-17-12(8-26-29)25-9-15(27-17)28-6-3-11(4-7-28)30-13-2-1-5-24-16(13)18(21,22)23/h1-2,5,8-9,11,14H,3-4,6-7,10H2
InChIKeyCUJNQTMFYFJGHO-UHFFFAOYSA-N
XLogP3.55
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104422
1-(2,2-difluoroethyl)-6-[(2R,5R)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104663
1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166105168
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-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 166104306
1-(1-bicyclo[1.1.1]pentanylmethyl)-6-[(3R,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166105273
3-methoxy-2-(trifluoromethyl)pyridine;1-(3-methylcyclobutyl)-6-piperidin-1-ylpyrazolo[3,4-b]pyrazine
CID 166104726
1-(2,2-difluoroethyl)-6-[3-fluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104474
5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
CID 178072549
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
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine (CID 166105132) is 1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine is FC(F)Cn1ncc2ncc(N3CCC(Oc4cccnc4C(F)(F)F)CC3)nc21.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine?
The InChIKey is CUJNQTMFYFJGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N6O/c19-14(20)10-29-17-12(8-26-29)25-9-15(27-17)28-6-3-11(4-7-28)30-13-2-1-5-24-16(13)18(21,22)23/h1-2,5,8-9,11,14H,3-4,6-7,10H2.
What are the key properties of 1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine?
1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine has a molecular weight of 428.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 166105132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).