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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (7R)-5-methyl-7-(3-nitrophenyl)-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxa (7R)-5-methyl-7-(3-nitrophenyl)-…

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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) 1.69 10.42 -13.43 2 10 0 131 377.364 4 ↓
Lo Low (pH 4.5-6) 1.69 -0.17 -40.14 3 10 1 131 378.372 4 ↓
Lo Low (pH 4.5-6) 1.87 10.96 -63.58 3 10 1 135 378.372 4 ↓

Analogs

4140035
4140035

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Popular Name: (7S)-7-(2-chlorophenyl)-5-methyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbox (7S)-7-(2-chlorophenyl)-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) 2.38 10.22 -10.87 2 7 0 85 366.812 3 ↓
Lo Low (pH 4.5-6) 2.38 -0.61 -37.71 3 7 1 85 367.82 3 ↓
Lo Low (pH 4.5-6) 2.56 10.29 -57.79 3 7 1 89 367.82 3 ↓

Analogs

4140038
4140038

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Popular Name: (7R)-7-(2,4-dichlorophenyl)-5-methyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-ca (7R)-7-(2,4-dichlorophenyl)-5-me…

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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) 3.04 10.74 -9.48 2 7 0 85 401.257 3 ↓
Lo Low (pH 4.5-6) 3.22 10.79 -59 3 7 1 89 402.265 3 ↓

Analogs

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Popular Name: (7R)-7-(4-bromophenyl)-5-methyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxa (7R)-7-(4-bromophenyl)-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) 2.56 10.34 -10.2 2 7 0 85 411.263 3 ↓
Lo Low (pH 4.5-6) -1.17 -1.42 -41.44 3 7 1 86 412.271 3 ↓
Lo Low (pH 4.5-6) 2.74 10.88 -60.2 3 7 1 89 412.271 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(4-bromophenyl)-5-methyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxa (7S)-7-(4-bromophenyl)-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) 2.56 10.33 -10.32 2 7 0 85 411.263 3 ↓
Lo Low (pH 4.5-6) -1.17 -1.46 -41.69 3 7 1 86 412.271 3 ↓
Lo Low (pH 4.5-6) 2.74 10.67 -61.24 3 7 1 89 412.271 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(3-bromophenyl)-5-methyl-N-(3-pyridinyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide 7-(3-bromophenyl)-5-methyl-N-(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) 2.54 10.33 -9.84 2 7 0 85 411.263 3 ↓
Lo Low (pH 4.5-6) -1.20 -1.78 -42.84 3 7 1 86 412.271 3 ↓
Lo Low (pH 4.5-6) 2.72 10.87 -57.72 3 7 1 89 412.271 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-(3-bromophenyl)-5-methyl-N-(3-pyridinyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide 7-(3-bromophenyl)-5-methyl-N-(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) 2.54 10.32 -9.66 2 7 0 85 411.263 3 ↓
Lo Low (pH 4.5-6) 2.72 10.68 -58.32 3 7 1 89 412.271 3 ↓

Analogs

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Popular Name: (7R)-7-(3,4-dimethoxyphenyl)-5-methyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-c (7R)-7-(3,4-dimethoxyphenyl)-5-m…

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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) 1.40 8.91 -13.29 2 9 0 103 392.419 5 ↓
Lo Low (pH 4.5-6) 1.40 -0.34 -44.32 3 9 1 104 393.427 5 ↓
Lo Low (pH 4.5-6) 1.58 9.5 -63.53 3 9 1 108 393.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(3,4-dimethoxyphenyl)-5-methyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-c (7S)-7-(3,4-dimethoxyphenyl)-5-m…

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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) 1.40 8.91 -13.18 2 9 0 103 392.419 5 ↓
Lo Low (pH 4.5-6) 1.40 -0.35 -44.43 3 9 1 104 393.427 5 ↓
Lo Low (pH 4.5-6) 1.58 9.38 -62.75 3 9 1 108 393.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7R)-7-(2,5-dimethoxyphenyl)-5-methyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-c (7R)-7-(2,5-dimethoxyphenyl)-5-m…

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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 8.64 -12.85 2 9 0 103 392.419 5 ↓
Lo Low (pH 4.5-6) 1.80 -0.7 -48.16 3 9 1 104 393.427 5 ↓
Lo Low (pH 4.5-6) 1.97 8.74 -57.35 3 9 1 108 393.427 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-7-(2,5-dimethoxyphenyl)-5-methyl-N-(3-pyridyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-c (7S)-7-(2,5-dimethoxyphenyl)-5-m…

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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 8.66 -12.8 2 9 0 103 392.419 5 ↓
Lo Low (pH 4.5-6) 1.80 -0.32 -42.14 3 9 1 104 393.427 5 ↓
Lo Low (pH 4.5-6) 1.97 8.64 -56.36 3 9 1 108 393.427 5 ↓

Parameters Provided:

ring.id = 222685
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 = 222685 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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