6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile

C19H16F6N6O2 — CID 136968666

IUPAC6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)ccc1C(F)(F)F
InChIInChI=1S/C19H16F6N6O2/c20-18(21,22)10-1-2-12(27-11(10)8-26)31-5-3-9(4-6-31)15-14-16(30-29-15)28-13(32)7-17(14,33)19(23,24)25/h1-2,9,33H,3-7H2,(H2,28,29,30,32)
InChIKeyHZOGUYBMYUAJMR-UHFFFAOYSA-N
MW474.37 g/mol
LogP3.17
Rot. Bonds2

About 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile

6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 136968666) has the molecular formula C19H16F6N6O2 and a molecular weight of 474.37 g/mol. Its IUPAC name is 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID136968666
Molecular FormulaC19H16F6N6O2
Molecular Weight474.37 g/mol
Exact Mass474.12
IUPAC Name6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)ccc1C(F)(F)F
InChIInChI=1S/C19H16F6N6O2/c20-18(21,22)10-1-2-12(27-11(10)8-26)31-5-3-9(4-6-31)15-14-16(30-29-15)28-13(32)7-17(14,33)19(23,24)25/h1-2,9,33H,3-7H2,(H2,28,29,30,32)
InChIKeyHZOGUYBMYUAJMR-UHFFFAOYSA-N
XLogP3.17
TPSA117.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile (CID 136968666) is 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)ccc1C(F)(F)F.
What is the InChIKey of 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is HZOGUYBMYUAJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N6O2/c20-18(21,22)10-1-2-12(27-11(10)8-26)31-5-3-9(4-6-31)15-14-16(30-29-15)28-13(32)7-17(14,33)19(23,24)25/h1-2,9,33H,3-7H2,(H2,28,29,30,32).
What are the key properties of 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 474.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 136968666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).