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

C15H16F3N5O2S — CID 136951037

IUPAC4-hydroxy-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3nccs3)CC2)N1
InChIInChI=1S/C15H16F3N5O2S/c16-15(17,18)14(25)7-9(24)20-12-10(14)11(21-22-12)8-1-4-23(5-2-8)13-19-3-6-26-13/h3,6,8,25H,1-2,4-5,7H2,(H2,20,21,22,24)
InChIKeyHFJIIUHQMURANG-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.34
Rot. Bonds2

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

4-hydroxy-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 136951037) has the molecular formula C15H16F3N5O2S and a molecular weight of 387.39 g/mol. Its IUPAC name is 4-hydroxy-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID136951037
Molecular FormulaC15H16F3N5O2S
Molecular Weight387.39 g/mol
Exact Mass387.10
IUPAC Name4-hydroxy-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3nccs3)CC2)N1
InChIInChI=1S/C15H16F3N5O2S/c16-15(17,18)14(25)7-9(24)20-12-10(14)11(21-22-12)8-1-4-23(5-2-8)13-19-3-6-26-13/h3,6,8,25H,1-2,4-5,7H2,(H2,20,21,22,24)
InChIKeyHFJIIUHQMURANG-UHFFFAOYSA-N
XLogP2.34
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136245992
4-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136951018
2-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-1,3-thiazole-5-carbonitrile
CID 136951025
4-hydroxy-3-[1-(5-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136951061
4-hydroxy-3-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136951085
4-hydroxy-4-(trifluoromethyl)-3-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrrolidin-3-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136996867

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (CID 136951037) is 4-hydroxy-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is O=C1CC(O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3nccs3)CC2)N1.
What is the InChIKey of 4-hydroxy-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is HFJIIUHQMURANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O2S/c16-15(17,18)14(25)7-9(24)20-12-10(14)11(21-22-12)8-1-4-23(5-2-8)13-19-3-6-26-13/h3,6,8,25H,1-2,4-5,7H2,(H2,20,21,22,24).
What are the key properties of 4-hydroxy-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
4-hydroxy-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 387.39 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136951037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).