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

C18H17F5N6O — CID 166104422

IUPAC1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
SMILESFC(F)Cn1ncc2ncc(N3CCC(Oc4cc(C(F)(F)F)ccn4)CC3)nc21
InChIInChI=1S/C18H17F5N6O/c19-14(20)10-29-17-13(8-26-29)25-9-15(27-17)28-5-2-12(3-6-28)30-16-7-11(1-4-24-16)18(21,22)23/h1,4,7-9,12,14H,2-3,5-6,10H2
InChIKeyUJLKXECXVNVPKY-UHFFFAOYSA-N
MW428.37 g/mol
LogP3.55
Rot. Bonds5

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

1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine (PubChem CID 166104422) has the molecular formula C18H17F5N6O and a molecular weight of 428.37 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
PubChem CID166104422
Molecular FormulaC18H17F5N6O
Molecular Weight428.37 g/mol
Exact Mass428.14
IUPAC Name1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
SMILESFC(F)Cn1ncc2ncc(N3CCC(Oc4cc(C(F)(F)F)ccn4)CC3)nc21
InChIInChI=1S/C18H17F5N6O/c19-14(20)10-29-17-13(8-26-29)25-9-15(27-17)28-5-2-12(3-6-28)30-16-7-11(1-4-24-16)18(21,22)23/h1,4,7-9,12,14H,2-3,5-6,10H2
InChIKeyUJLKXECXVNVPKY-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166105168
1-(2,2-difluoroethyl)-6-[4-[1-[2-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]oxypiperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104302
4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbaldehyde
CID 175551989
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
2-chloro-1-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]ethanone
CID 117054478
1-(2,2-difluoroethyl)-6-[(3R)-3-[(1R)-1-[2-(trifluoromethyl)phenoxy]ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104243
5-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazolo[1,5-a]pyrimidine
CID 163354855
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
2-piperidin-4-yloxy-4-(trifluoromethyl)pyridine
CID 66330077
1-(2,2-difluoroethyl)-6-[3-fluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 166104474
oxan-4-yl-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 91815793

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine (CID 166104422) is 1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine is FC(F)Cn1ncc2ncc(N3CCC(Oc4cc(C(F)(F)F)ccn4)CC3)nc21.
What is the InChIKey of 1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine?
The InChIKey is UJLKXECXVNVPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N6O/c19-14(20)10-29-17-13(8-26-29)25-9-15(27-17)28-5-2-12(3-6-28)30-16-7-11(1-4-24-16)18(21,22)23/h1,4,7-9,12,14H,2-3,5-6,10H2.
What are the key properties of 1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine?
1-(2,2-difluoroethyl)-6-[4-[[4-(trifluoromethyl)-2-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-[[4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 166104422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).