4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

C8H8F3N3O2 — CID 144848210

IUPAC4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCc1[nH]nc2c1C(O)(C(F)(F)F)CC(=O)N2
InChIInChI=1S/C8H8F3N3O2/c1-3-5-6(14-13-3)12-4(15)2-7(5,16)8(9,10)11/h16H,2H2,1H3,(H2,12,13,14,15)
InChIKeyJFAIWPVKLRLONN-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.81
Rot. Bonds

About 4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 144848210) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID144848210
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCc1[nH]nc2c1C(O)(C(F)(F)F)CC(=O)N2
InChIInChI=1S/C8H8F3N3O2/c1-3-5-6(14-13-3)12-4(15)2-7(5,16)8(9,10)11/h16H,2H2,1H3,(H2,12,13,14,15)
InChIKeyJFAIWPVKLRLONN-UHFFFAOYSA-N
XLogP0.81
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (CID 144848210) is 4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is Cc1[nH]nc2c1C(O)(C(F)(F)F)CC(=O)N2.
What is the InChIKey of 4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is JFAIWPVKLRLONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-3-5-6(14-13-3)12-4(15)2-7(5,16)8(9,10)11/h16H,2H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 235.16 g/mol, XLogP of 0.81, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 144848210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).