5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine

C14H15F3N4 — CID 170784695

IUPAC5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
SMILESFC(F)(F)c1[nH]nc2ncc(CC3CC4(CNC4)C3)cc12
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-10-2-8(5-19-12(10)21-20-11)1-9-3-13(4-9)6-18-7-13/h2,5,9,18H,1,3-4,6-7H2,(H,19,20,21)
InChIKeyUMDSDWLARKTIJB-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.52
Rot. Bonds2

About 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine

5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 170784695) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID170784695
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine
SMILESFC(F)(F)c1[nH]nc2ncc(CC3CC4(CNC4)C3)cc12
InChIInChI=1S/C14H15F3N4/c15-14(16,17)11-10-2-8(5-19-12(10)21-20-11)1-9-3-13(4-9)6-18-7-13/h2,5,9,18H,1,3-4,6-7H2,(H,19,20,21)
InChIKeyUMDSDWLARKTIJB-UHFFFAOYSA-N
XLogP2.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-2-azaspiro[3.3]heptane
CID 162745967
6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 170785032
N-[[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]methyl]prop-2-enamide
CID 145222344
6-(2-azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 170785120
2-(2-azaspiro[3.3]heptan-6-ylmethyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 170785098
6-[[5-[1-(trifluoromethyl)cyclopropyl]pyrimidin-2-yl]methyl]-2-azaspiro[3.3]heptane
CID 170785065
6-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-azaspiro[3.3]heptane
CID 175919334
5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 169104879
6-[(5-chloro-2-pyridinyl)methyl]-2-azaspiro[3.3]heptane
CID 166084312
[6-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-pyridinyl]-methylidene-oxo-(trifluoromethyl)-λ6-sulfane
CID 177182594
6-[[6-(1,1-difluoroethyl)pyridazin-3-yl]methyl]-2-azaspiro[3.3]heptane
CID 169105363
6-[(4-methylphenyl)methyl]-2-azaspiro[3.3]heptane
CID 175711466

Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine (CID 170784695) is 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine is FC(F)(F)c1[nH]nc2ncc(CC3CC4(CNC4)C3)cc12.
What is the InChIKey of 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is UMDSDWLARKTIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)11-10-2-8(5-19-12(10)21-20-11)1-9-3-13(4-9)6-18-7-13/h2,5,9,18H,1,3-4,6-7H2,(H,19,20,21).
What are the key properties of 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine?
5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 296.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 170784695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).