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

C13H9F4N3O2 — CID 136932697

IUPAC(4R)-3-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESO=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2-c2cccc(F)c2)N1
InChIInChI=1S/C13H9F4N3O2/c14-7-3-1-2-6(4-7)10-9-11(20-19-10)18-8(21)5-12(9,22)13(15,16)17/h1-4,22H,5H2,(H2,18,19,20,21)/t12-/m1/s1
InChIKeySAZBTHPCNXLONC-GFCCVEGCSA-N
MW315.23 g/mol
LogP2.31
Rot. Bonds1

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

(4R)-3-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 136932697) has the molecular formula C13H9F4N3O2 and a molecular weight of 315.23 g/mol. Its IUPAC name is (4R)-3-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R)-3-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID136932697
Molecular FormulaC13H9F4N3O2
Molecular Weight315.23 g/mol
Exact Mass315.06
IUPAC Name(4R)-3-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESO=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2-c2cccc(F)c2)N1
InChIInChI=1S/C13H9F4N3O2/c14-7-3-1-2-6(4-7)10-9-11(20-19-10)18-8(21)5-12(9,22)13(15,16)17/h1-4,22H,5H2,(H2,18,19,20,21)/t12-/m1/s1
InChIKeySAZBTHPCNXLONC-GFCCVEGCSA-N
XLogP2.31
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (4R)-3-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (CID 136932697) is (4R)-3-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (4R)-3-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (4R)-3-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is O=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2-c2cccc(F)c2)N1.
What is the InChIKey of (4R)-3-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is SAZBTHPCNXLONC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H9F4N3O2/c14-7-3-1-2-6(4-7)10-9-11(20-19-10)18-8(21)5-12(9,22)13(15,16)17/h1-4,22H,5H2,(H2,18,19,20,21)/t12-/m1/s1.
What are the key properties of (4R)-3-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
(4R)-3-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 315.23 g/mol, XLogP of 2.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136932697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).