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

C16H15F3N6O2S — CID 136951025

IUPAC2-[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
SMILESN#Cc1cnc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)s1
InChIInChI=1S/C16H15F3N6O2S/c17-16(18,19)15(27)5-10(26)22-13-11(15)12(23-24-13)8-1-3-25(4-2-8)14-21-7-9(6-20)28-14/h7-8,27H,1-5H2,(H2,22,23,24,26)
InChIKeySCEUVMHIPKOBHW-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.21
Rot. Bonds2

About 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

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 (PubChem CID 136951025) has the molecular formula C16H15F3N6O2S and a molecular weight of 412.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID136951025
Molecular FormulaC16H15F3N6O2S
Molecular Weight412.40 g/mol
Exact Mass412.09
IUPAC Name2-[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
SMILESN#Cc1cnc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)s1
InChIInChI=1S/C16H15F3N6O2S/c17-16(18,19)15(27)5-10(26)22-13-11(15)12(23-24-13)8-1-3-25(4-2-8)14-21-7-9(6-20)28-14/h7-8,27H,1-5H2,(H2,22,23,24,26)
InChIKeySCEUVMHIPKOBHW-UHFFFAOYSA-N
XLogP2.21
TPSA117.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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
5-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 136951021
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-(1,3-thiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136951037
2-[4-[4,6-Dihydroxy-4-(trifluoromethyl)-2,5,6,7-tetrahydropyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-1,3-thiazole-5-carbonitrile
CID 154468786

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cnc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)s1.
What is the InChIKey of 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?
The InChIKey is SCEUVMHIPKOBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O2S/c17-16(18,19)15(27)5-10(26)22-13-11(15)12(23-24-13)8-1-3-25(4-2-8)14-21-7-9(6-20)28-14/h7-8,27H,1-5H2,(H2,22,23,24,26).
What are the key properties of 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?
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 has a molecular weight of 412.40 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 136951025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).