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Popular Name: 2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-phenyl-acetamide 2-[5-methyl-3-oxo-7-(2-pyridyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.99 8.79 -18.19 1 8 0 94 360.377 4 ↓

Analogs

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Popular Name: 2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(o-tolyl)acetamide 2-[5-methyl-3-oxo-7-(2-pyridyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.39 9.68 -18.25 1 8 0 94 374.404 4 ↓

Analogs

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Popular Name: 2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-(m-tolyl)acetamide 2-[5-methyl-3-oxo-7-(2-pyridyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.42 9.45 -18.02 1 8 0 94 374.404 4 ↓

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]acetamid N-(2,5-dimethylphenyl)-2-[5-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.82 10.3 -18.18 1 8 0 94 388.431 4 ↓

Analogs

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Popular Name: N-(2,6-dimethylphenyl)-2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]acetamid N-(2,6-dimethylphenyl)-2-[5-meth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.86 10.64 -17.77 1 8 0 94 388.431 4 ↓

Analogs

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Popular Name: N-(3-methoxyphenyl)-2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]acetamide N-(3-methoxyphenyl)-2-[5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.03 8.09 -21.68 1 9 0 103 390.403 5 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]acetamide N-(4-methoxyphenyl)-2-[5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.05 8.08 -18.9 1 9 0 103 390.403 5 ↓

Analogs

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Popular Name: N-(4-cyanophenyl)-2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]acetamide N-(4-cyanophenyl)-2-[5-methyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.75 9.19 -20.29 1 9 0 118 385.387 4 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 10.71 -16.85 1 10 0 120 432.44 7 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]acetamide N-(4-chlorophenyl)-2-[5-methyl-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.67 9.31 -17.7 1 8 0 94 394.822 4 ↓

Analogs

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Popular Name: N-(4-bromophenyl)-2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]acetamide N-(4-bromophenyl)-2-[5-methyl-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.80 9.41 -17.68 1 8 0 94 439.273 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]ac N-(3-chloro-4-fluoro-phenyl)-2-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 9.36 -20.37 1 8 0 94 412.812 4 ↓

Analogs

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Popular Name: 2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-[2-(trifluoromethyl)phenyl]a 2-[5-methyl-3-oxo-7-(2-pyridyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.84 10.04 -15.29 1 8 0 94 428.374 5 ↓

Analogs

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Popular Name: 2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-[3-(trifluoromethyl)phenyl]a 2-[5-methyl-3-oxo-7-(2-pyridyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.86 9.8 -21.07 1 8 0 94 428.374 5 ↓

Analogs

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Popular Name: 2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]-N-[4-(trifluoromethyl)phenyl]a 2-[5-methyl-3-oxo-7-(2-pyridyl)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.89 9.79 -18.26 1 8 0 94 428.374 5 ↓

Analogs

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Popular Name: N-(2-chloro-4-methyl-phenyl)-2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]ac N-(2-chloro-4-methyl-phenyl)-2-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.05 10.07 -15.4 1 8 0 94 408.849 4 ↓

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]a N-(3-chloro-4-methoxy-phenyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.66 8.64 -21.72 1 9 0 103 424.848 5 ↓

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-2-[5-methyl-3-oxo-7-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyrimidin-2-yl]a N-(5-chloro-2-methoxy-phenyl)-2-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.66 8.72 -18.29 1 9 0 103 424.848 5 ↓

Parameters Provided:

ring.id = 563801
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 563801 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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