(4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C15H17F3N6O2S — CID 137249430

IUPAC(4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1nnc(N2CCC(c3[nH]nc4c3[C@@H](C(F)(F)F)[C@@H](O)C(=O)N4)CC2)s1
InChIInChI=1S/C15H17F3N6O2S/c1-6-20-23-14(27-6)24-4-2-7(3-5-24)10-8-9(15(16,17)18)11(25)13(26)19-12(8)22-21-10/h7,9,11,25H,2-5H2,1H3,(H2,19,21,22,26)/t9-,11-/m1/s1
InChIKeyFQMWPOJYBCAXMU-MWLCHTKSSA-N
MW402.40 g/mol
LogP1.91
Rot. Bonds2

About (4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

(4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 137249430) has the molecular formula C15H17F3N6O2S and a molecular weight of 402.40 g/mol. Its IUPAC name is (4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name(4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID137249430
Molecular FormulaC15H17F3N6O2S
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC Name(4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCc1nnc(N2CCC(c3[nH]nc4c3[C@@H](C(F)(F)F)[C@@H](O)C(=O)N4)CC2)s1
InChIInChI=1S/C15H17F3N6O2S/c1-6-20-23-14(27-6)24-4-2-7(3-5-24)10-8-9(15(16,17)18)11(25)13(26)19-12(8)22-21-10/h7,9,11,25H,2-5H2,1H3,(H2,19,21,22,26)/t9-,11-/m1/s1
InChIKeyFQMWPOJYBCAXMU-MWLCHTKSSA-N
XLogP1.91
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one with MolForge

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Related Compounds

4-hydroxy-4-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
CID 136951100
(4R,5R)-5-hydroxy-4-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 136962965
(4S,5S)-5-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137082726
(4S,5S)-5-hydroxy-4-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137082650
5-Hydroxy-4-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137082694
5-Hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137082709
(4R,5R)-5-hydroxy-4-(trifluoromethyl)-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137082724
(4S,5S)-5-hydroxy-4-methyl-3-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 137249415

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of (4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 137249430) is (4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for (4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for (4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is Cc1nnc(N2CCC(c3[nH]nc4c3[C@@H](C(F)(F)F)[C@@H](O)C(=O)N4)CC2)s1.
What is the InChIKey of (4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is FQMWPOJYBCAXMU-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H17F3N6O2S/c1-6-20-23-14(27-6)24-4-2-7(3-5-24)10-8-9(15(16,17)18)11(25)13(26)19-12(8)22-21-10/h7,9,11,25H,2-5H2,1H3,(H2,19,21,22,26)/t9-,11-/m1/s1.
What are the key properties of (4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
(4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 402.40 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-hydroxy-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-4-(trifluoromethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 137249430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).