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

C17H16F6N6O2 — CID 136951020

IUPAC4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3nccc(C(F)(F)F)n3)CC2)N1
InChIInChI=1S/C17H16F6N6O2/c18-16(19,20)9-1-4-24-14(25-9)29-5-2-8(3-6-29)12-11-13(28-27-12)26-10(30)7-15(11,31)17(21,22)23/h1,4,8,31H,2-3,5-7H2,(H2,26,27,28,30)
InChIKeyIVJHCMCSSZLVJD-UHFFFAOYSA-N
MW450.34 g/mol
LogP2.69
Rot. Bonds2

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

4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 136951020) has the molecular formula C17H16F6N6O2 and a molecular weight of 450.34 g/mol. Its IUPAC name is 4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID136951020
Molecular FormulaC17H16F6N6O2
Molecular Weight450.34 g/mol
Exact Mass450.12
IUPAC Name4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3nccc(C(F)(F)F)n3)CC2)N1
InChIInChI=1S/C17H16F6N6O2/c18-16(19,20)9-1-4-24-14(25-9)29-5-2-8(3-6-29)12-11-13(28-27-12)26-10(30)7-15(11,31)17(21,22)23/h1,4,8,31H,2-3,5-7H2,(H2,26,27,28,30)
InChIKeyIVJHCMCSSZLVJD-UHFFFAOYSA-N
XLogP2.69
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-hydroxy-4-(trifluoromethyl)-3-[1-[6-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136245967
4-Hydroxy-4-(trifluoromethyl)-3-{1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136245968
3-[1-(5-Chloropyridin-2-yl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136245969
2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 136245970
5-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 136245989
4-hydroxy-4-(trifluoromethyl)-3-[1-[6-(trifluoromethyl)pyridin-3-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136245990
4-hydroxy-4-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136245991
4-hydroxy-4-(trifluoromethyl)-3-[1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136246009
4-hydroxy-3-[1-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136246011
6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 136951011
3-[1-(2-cyclopropylpyrimidin-5-yl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136951013
6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-2-methylpyridine-3-carbonitrile
CID 136951016

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (CID 136951020) is 4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is O=C1CC(O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3nccc(C(F)(F)F)n3)CC2)N1.
What is the InChIKey of 4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is IVJHCMCSSZLVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F6N6O2/c18-16(19,20)9-1-4-24-14(25-9)29-5-2-8(3-6-29)12-11-13(28-27-12)26-10(30)7-15(11,31)17(21,22)23/h1,4,8,31H,2-3,5-7H2,(H2,26,27,28,30).
What are the key properties of 4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 450.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136951020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).