4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

C15H14F3N3O2 — CID 136665715

IUPAC4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCC(c1ccccc1)c1[nH]nc2c1C(O)(C(F)(F)F)CC(=O)N2
InChIInChI=1S/C15H14F3N3O2/c1-8(9-5-3-2-4-6-9)12-11-13(21-20-12)19-10(22)7-14(11,23)15(16,17)18/h2-6,8,23H,7H2,1H3,(H2,19,20,21,22)
InChIKeyDWFMERUAPNFJSP-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.65
Rot. Bonds2

About 4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 136665715) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID136665715
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCC(c1ccccc1)c1[nH]nc2c1C(O)(C(F)(F)F)CC(=O)N2
InChIInChI=1S/C15H14F3N3O2/c1-8(9-5-3-2-4-6-9)12-11-13(21-20-12)19-10(22)7-14(11,23)15(16,17)18/h2-6,8,23H,7H2,1H3,(H2,19,20,21,22)
InChIKeyDWFMERUAPNFJSP-UHFFFAOYSA-N
XLogP2.65
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (CID 136665715) is 4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is CC(c1ccccc1)c1[nH]nc2c1C(O)(C(F)(F)F)CC(=O)N2.
What is the InChIKey of 4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is DWFMERUAPNFJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-8(9-5-3-2-4-6-9)12-11-13(21-20-12)19-10(22)7-14(11,23)15(16,17)18/h2-6,8,23H,7H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 325.29 g/mol, XLogP of 2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(1-phenylethyl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136665715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).