tert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate

C17H23F3N4O3 — CID 136953075

IUPACtert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2[nH]nc3c2C(C(F)(F)F)CC(=O)N3)CC1
InChIInChI=1S/C17H23F3N4O3/c1-16(2,3)27-15(26)24-6-4-9(5-7-24)13-12-10(17(18,19)20)8-11(25)21-14(12)23-22-13/h9-10H,4-8H2,1-3H3,(H2,21,22,23,25)
InChIKeyZAYDKFFSDWVAPC-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.51
Rot. Bonds1

About tert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate (PubChem CID 136953075) has the molecular formula C17H23F3N4O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is tert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate
PubChem CID136953075
Molecular FormulaC17H23F3N4O3
Molecular Weight388.39 g/mol
Exact Mass388.17
IUPAC Nametert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2[nH]nc3c2C(C(F)(F)F)CC(=O)N3)CC1
InChIInChI=1S/C17H23F3N4O3/c1-16(2,3)27-15(26)24-6-4-9(5-7-24)13-12-10(17(18,19)20)8-11(25)21-14(12)23-22-13/h9-10H,4-8H2,1-3H3,(H2,21,22,23,25)
InChIKeyZAYDKFFSDWVAPC-UHFFFAOYSA-N
XLogP3.51
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

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 (3S)-3-[[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]methyl]piperidine-1-carboxylate
CID 136951682
tert-butyl (3R)-3-[[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]methyl]piperidine-1-carboxylate
CID 136951695
3-Piperidin-4-yl-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136953074
tert-butyl 4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate
CID 136968665
tert-butyl 3-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]pyrrolidine-1-carboxylate
CID 136996856
tert-butyl 3-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]azetidine-1-carboxylate
CID 136996857
tert-butyl (3R)-3-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate
CID 136996859

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate (CID 136953075) is tert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2[nH]nc3c2C(C(F)(F)F)CC(=O)N3)CC1.
What is the InChIKey of tert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate?
The InChIKey is ZAYDKFFSDWVAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O3/c1-16(2,3)27-15(26)24-6-4-9(5-7-24)13-12-10(17(18,19)20)8-11(25)21-14(12)23-22-13/h9-10H,4-8H2,1-3H3,(H2,21,22,23,25).
What are the key properties of tert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate has a molecular weight of 388.39 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-oxo-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 136953075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).