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

C21H20F3N5O2S — CID 136951085

IUPAC4-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
SMILESO=C1CC(O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3nc(-c4ccccc4)cs3)CC2)N1
InChIInChI=1S/C21H20F3N5O2S/c22-21(23,24)20(31)10-15(30)26-18-16(20)17(27-28-18)13-6-8-29(9-7-13)19-25-14(11-32-19)12-4-2-1-3-5-12/h1-5,11,13,31H,6-10H2,(H2,26,27,28,30)
InChIKeyUKLSCFWNVSOLHJ-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.01
Rot. Bonds3

About 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

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 (PubChem CID 136951085) has the molecular formula C21H20F3N5O2S and a molecular weight of 463.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID136951085
Molecular FormulaC21H20F3N5O2S
Molecular Weight463.49 g/mol
Exact Mass463.13
IUPAC Name4-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
SMILESO=C1CC(O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3nc(-c4ccccc4)cs3)CC2)N1
InChIInChI=1S/C21H20F3N5O2S/c22-21(23,24)20(31)10-15(30)26-18-16(20)17(27-28-18)13-6-8-29(9-7-13)19-25-14(11-32-19)12-4-2-1-3-5-12/h1-5,11,13,31H,6-10H2,(H2,26,27,28,30)
InChIKeyUKLSCFWNVSOLHJ-UHFFFAOYSA-N
XLogP4.01
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-[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
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
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
3-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136951058
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
3-[1-[6-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136951079
4-hydroxy-3-(1-pyridin-2-ylpiperidin-4-yl)-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136951090
4-hydroxy-3-[1-(6-methylpyridin-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136951093
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
4-hydroxy-3-[1-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136951669
3-[1-[6-fluoro-5-(fluoromethyl)-2-pyridinyl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136968927

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1CC(O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3nc(-c4ccccc4)cs3)CC2)N1.
What is the InChIKey of 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?
The InChIKey is UKLSCFWNVSOLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2S/c22-21(23,24)20(31)10-15(30)26-18-16(20)17(27-28-18)13-6-8-29(9-7-13)19-25-14(11-32-19)12-4-2-1-3-5-12/h1-5,11,13,31H,6-10H2,(H2,26,27,28,30).
What are the key properties of 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?
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 has a molecular weight of 463.49 g/mol, XLogP of 4.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 136951085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).