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

C12H16ClF3N4O2 — CID 136951072

IUPAC4-hydroxy-3-piperidin-4-yl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride
SMILESCl.O=C1CC(O)(C(F)(F)F)c2c(n[nH]c2C2CCNCC2)N1
InChIInChI=1S/C12H15F3N4O2.ClH/c13-12(14,15)11(21)5-7(20)17-10-8(11)9(18-19-10)6-1-3-16-4-2-6;/h6,16,21H,1-5H2,(H2,17,18,19,20);1H
InChIKeyLADZSLABBKSIJU-UHFFFAOYSA-N
MW340.73 g/mol
LogP1.39
Rot. Bonds1

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

4-hydroxy-3-piperidin-4-yl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride (PubChem CID 136951072) has the molecular formula C12H16ClF3N4O2 and a molecular weight of 340.73 g/mol. Its IUPAC name is 4-hydroxy-3-piperidin-4-yl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-3-piperidin-4-yl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride
PubChem CID136951072
Molecular FormulaC12H16ClF3N4O2
Molecular Weight340.73 g/mol
Exact Mass340.09
IUPAC Name4-hydroxy-3-piperidin-4-yl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride
SMILESCl.O=C1CC(O)(C(F)(F)F)c2c(n[nH]c2C2CCNCC2)N1
InChIInChI=1S/C12H15F3N4O2.ClH/c13-12(14,15)11(21)5-7(20)17-10-8(11)9(18-19-10)6-1-3-16-4-2-6;/h6,16,21H,1-5H2,(H2,17,18,19,20);1H
InChIKeyLADZSLABBKSIJU-UHFFFAOYSA-N
XLogP1.39
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.73
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-piperidin-4-yl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride?
The IUPAC name of 4-hydroxy-3-piperidin-4-yl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride (CID 136951072) is 4-hydroxy-3-piperidin-4-yl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride.
What is the SMILES notation for 4-hydroxy-3-piperidin-4-yl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride?
The canonical SMILES for 4-hydroxy-3-piperidin-4-yl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride is Cl.O=C1CC(O)(C(F)(F)F)c2c(n[nH]c2C2CCNCC2)N1.
What is the InChIKey of 4-hydroxy-3-piperidin-4-yl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride?
The InChIKey is LADZSLABBKSIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2.ClH/c13-12(14,15)11(21)5-7(20)17-10-8(11)9(18-19-10)6-1-3-16-4-2-6;/h6,16,21H,1-5H2,(H2,17,18,19,20);1H.
What are the key properties of 4-hydroxy-3-piperidin-4-yl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride?
4-hydroxy-3-piperidin-4-yl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride has a molecular weight of 340.73 g/mol, XLogP of 1.39, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-piperidin-4-yl-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one;hydrochloride is sourced from PubChem (CID 136951072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).