3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C12H15F3N4O — CID 136953074

IUPAC3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(C(F)(F)F)c2c(n[nH]c2C2CCNCC2)N1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)7-5-8(20)17-11-9(7)10(18-19-11)6-1-3-16-4-2-6/h6-7,16H,1-5H2,(H2,17,18,19,20)
InChIKeyOQLDOPHNNJPTTE-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.86
Rot. Bonds1

About 3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 136953074) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID136953074
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(C(F)(F)F)c2c(n[nH]c2C2CCNCC2)N1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)7-5-8(20)17-11-9(7)10(18-19-11)6-1-3-16-4-2-6/h6-7,16H,1-5H2,(H2,17,18,19,20)
InChIKeyOQLDOPHNNJPTTE-UHFFFAOYSA-N
XLogP1.86
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one with MolForge

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Related Compounds

7'-Methyl-2',3',4',6'-tetrahydrospiro[cyclohexane-1,1'-pyrazolo[3,4-b]pyridine]-3'-one
CID 136227261
N-[N'-tert-butyl-N-(4-butyl-4-fluoro-6-methyl-5,7-dihydro-1H-pyrazolo[3,4-c]pyridin-3-yl)carbamimidoyl]-2-(methylaminomethyl)-4-propyl-3-(trifluoromethyl)nonanamide
CID 123444402
4-hydroxy-3-(piperidin-4-yl)-4-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one trifluoroacetate
CID 136951034
4-Hydroxy-3-(piperidin-4-yl)-4-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136951035
[6-oxo-3-piperidin-4-yl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-4-yl] 2,2,2-trifluoroacetate
CID 136951036
4-hydroxy-3-(piperidin-4-yl)-4-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one hydrochloride
CID 136951072
4-hydroxy-3-[(1S)-1-[(3S)-piperidin-3-yl]ethyl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136951653
Tert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate
CID 136953075
4-hydroxy-3-[1-(methylamino)heptan-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136996870
3-Methyl-4-propyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137083087
3-Methyl-4-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137083088
2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetamide
CID 84697386

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 136953074) is 3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is O=C1CC(C(F)(F)F)c2c(n[nH]c2C2CCNCC2)N1.
What is the InChIKey of 3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is OQLDOPHNNJPTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)7-5-8(20)17-11-9(7)10(18-19-11)6-1-3-16-4-2-6/h6-7,16H,1-5H2,(H2,17,18,19,20).
What are the key properties of 3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 288.27 g/mol, XLogP of 1.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136953074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).