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Analogs

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Popular Name: 3-[(3S)-3-methyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(3S)-3-methyl-3-piperidyl]-[1…

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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) 1.30 6.3 -46.98 2 4 1 47 217.296 1 ↓

Analogs

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Popular Name: 3-[(3R)-3-methyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(3R)-3-methyl-3-piperidyl]-[1…

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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) 1.30 6.3 -46.96 2 4 1 47 217.296 1 ↓

Analogs

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Popular Name: 3-[(3S)-3-ethyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(3S)-3-ethyl-3-piperidyl]-[1,…

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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) 1.63 6.48 -57.06 2 4 1 47 231.323 2 ↓

Analogs

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Popular Name: 3-[(3R)-3-ethyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(3R)-3-ethyl-3-piperidyl]-[1,…

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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) 1.63 6.49 -56.95 2 4 1 47 231.323 2 ↓

Analogs

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Popular Name: 3-[(3S)-3-propyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(3S)-3-propyl-3-piperidyl]-[1…

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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) 2.19 7.25 -57.41 2 4 1 47 245.35 3 ↓

Analogs

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Popular Name: 3-[(3R)-3-propyl-3-piperidyl]-[1,2,4]triazolo[4,3-a]pyridine 3-[(3R)-3-propyl-3-piperidyl]-[1…

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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) 2.19 7.25 -57.32 2 4 1 47 245.35 3 ↓

Analogs

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Popular Name: 3-[(3S)-3-methyl-3-piperidyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 3-[(3S)-3-methyl-3-piperidyl]-6-…

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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) 2.15 7.28 -45.59 2 4 1 47 285.293 2 ↓

Analogs

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Popular Name: 3-[(3R)-3-methyl-3-piperidyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 3-[(3R)-3-methyl-3-piperidyl]-6-…

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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) 2.15 7.28 -45.6 2 4 1 47 285.293 2 ↓

Analogs

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Popular Name: 3-[(3S)-3-ethyl-3-piperidyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 3-[(3S)-3-ethyl-3-piperidyl]-6-(…

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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) 2.47 7.46 -53.03 2 4 1 47 299.32 3 ↓

Analogs

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Popular Name: 3-[(3R)-3-ethyl-3-piperidyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 3-[(3R)-3-ethyl-3-piperidyl]-6-(…

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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) 2.47 7.47 -52.97 2 4 1 47 299.32 3 ↓

Analogs

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Popular Name: 8-chloro-3-[(3S)-3-methyl-3-piperidyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 8-chloro-3-[(3S)-3-methyl-3-pipe…

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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) 2.76 7.76 -47.4 2 4 1 47 319.738 2 ↓

Analogs

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Popular Name: 8-chloro-3-[(3R)-3-methyl-3-piperidyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine 8-chloro-3-[(3R)-3-methyl-3-pipe…

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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) 2.76 7.76 -47.41 2 4 1 47 319.738 2 ↓

Analogs

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Popular Name: 2-methylsulfanyl-1-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]ethanone 2-methylsulfanyl-1-[(3S)-3-([1,2…

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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) 1.12 8.62 -20 0 5 0 51 290.392 3 ↓

Analogs

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Popular Name: 2-methylsulfanyl-1-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-piperidyl]ethanone 2-methylsulfanyl-1-[(3R)-3-([1,2…

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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) 1.12 8.63 -20.07 0 5 0 51 290.392 3 ↓

Analogs

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Popular Name: 3-methyl-1-[(3S)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1-piperidyl]but-2-en-1-o 3-methyl-1-[(3S)-3-[6-(trifluoro…

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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) 3.12 10.35 -13.37 0 5 0 51 352.36 3 ↓

Analogs

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Popular Name: 3-methyl-1-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1-piperidyl]but-2-en-1-o 3-methyl-1-[(3R)-3-[6-(trifluoro…

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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) 3.12 10.37 -13.07 0 5 0 51 352.36 3 ↓

Analogs

42164036
42164036
42164037
42164037
39230983
39230983
39230989
39230989
39260140
39260140

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Popular Name: 1-[(3S)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1-piperidyl]butan-1-one 1-[(3S)-3-[6-(trifluoromethyl)-[…

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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) 2.88 9.87 -14.23 0 5 0 51 340.349 4 ↓

Analogs

42164036
42164036
42164037
42164037
39230989
39230989
39260140
39260140

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3R)-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1-piperidyl]butan-1-one 1-[(3R)-3-[6-(trifluoromethyl)-[…

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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) 2.88 9.89 -14.28 0 5 0 51 340.349 4 ↓

Parameters Provided:

ring.id = 102960
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 = 102960 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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