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Analogs

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Popular Name: 2-(N-ethyl-3-methyl-anilino)imidazo[1,2-a]pyridine-3-carbaldehyde 2-(N-ethyl-3-methyl-anilino)imid…

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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) 4.05 10.44 -11.66 0 4 0 38 279.343 4 ↓
Lo Low (pH 4.5-6) 4.05 10.92 -28.72 1 4 1 39 280.351 4 ↓

Analogs

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Popular Name: [2-(N-ethyl-3-methyl-anilino)imidazo[1,2-a]pyridin-3-yl]methanol [2-(N-ethyl-3-methyl-anilino)imi…

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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) 3.60 8.57 -26.81 2 4 1 42 282.367 4 ↓
Hi High (pH 8-9.5) 3.60 8.09 -14.23 1 4 0 41 281.359 4 ↓

Analogs

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Popular Name: 3-(aminomethyl)-N-ethyl-N-(m-tolyl)imidazo[1,2-a]pyridin-2-amine 3-(aminomethyl)-N-ethyl-N-(m-tol…

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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) 3.45 9.28 -99.42 4 4 2 49 282.391 4 ↓
Hi High (pH 8-9.5) 3.45 8.4 -11.84 2 4 0 47 280.375 4 ↓
Hi High (pH 8-9.5) 3.45 8.88 -25.78 3 4 1 48 281.383 4 ↓

Analogs

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Popular Name: 2-(3-ethynylanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(3-ethynylanilino)imidazo[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) 2.97 9.37 -43.47 2 5 0 71 277.283 3 ↓
Mid Mid (pH 6-8) 2.97 9.2 -61.44 1 5 -1 69 276.275 3 ↓

Analogs

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Popular Name: 2-(4-methoxyanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(4-methoxyanilino)imidazo[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) 3.28 7.48 -45.41 2 6 0 80 283.287 4 ↓
Mid Mid (pH 6-8) 3.28 7.3 -59.46 1 6 -1 79 282.279 4 ↓

Analogs

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Popular Name: 2-anilinoimidazo[1,2-a]pyridine-3-carboxylic 2-anilinoimidazo[1,2-a]pyridine-…

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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) 3.23 8.19 -44.75 2 5 0 71 253.261 3 ↓
Mid Mid (pH 6-8) 3.23 7.96 -60.25 1 5 -1 69 252.253 3 ↓

Analogs

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Popular Name: 2-(2-methoxyanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(2-methoxyanilino)imidazo[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) 3.24 7.53 -48.75 2 6 0 80 283.287 4 ↓
Mid Mid (pH 6-8) 3.24 7.56 -65.07 1 6 -1 79 282.279 4 ↓

Analogs

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Popular Name: 2-(2,5-difluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(2,5-difluoroanilino)imidazo[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) 3.48 8.32 -45.44 2 5 0 71 289.241 3 ↓
Mid Mid (pH 6-8) 3.48 8.31 -59.62 1 5 -1 69 288.233 3 ↓

Analogs

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Popular Name: 2-(3,4-difluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(3,4-difluoroanilino)imidazo[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) 3.48 8.29 -46.38 2 5 0 71 289.241 3 ↓
Mid Mid (pH 6-8) 3.48 8.07 -54.49 1 5 -1 69 288.233 3 ↓

Analogs

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Popular Name: 2-(3-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(3-fluoroanilino)imidazo[1,2-a…

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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) 3.37 8.24 -46.64 2 5 0 71 271.251 3 ↓
Mid Mid (pH 6-8) 3.37 8.02 -58.13 1 5 -1 69 270.243 3 ↓

Analogs

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Popular Name: 2-(2-cyanoanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(2-cyanoanilino)imidazo[1,2-a]…

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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) 2.93 8.64 -56.41 2 6 0 94 278.271 3 ↓
Mid Mid (pH 6-8) 2.93 8.56 -66.52 1 6 -1 93 277.263 3 ↓

Analogs

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Popular Name: 2-(3-cyanoanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(3-cyanoanilino)imidazo[1,2-a]…

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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) 2.96 8.58 -50.32 2 6 0 94 278.271 3 ↓
Mid Mid (pH 6-8) 2.96 8.34 -58.65 1 6 -1 93 277.263 3 ↓

Analogs

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Popular Name: 2-(4-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(4-fluoroanilino)imidazo[1,2-a…

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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) 3.39 8.24 -44.03 2 5 0 71 271.251 3 ↓
Mid Mid (pH 6-8) 3.39 8.02 -56.04 1 5 -1 69 270.243 3 ↓

Analogs

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Popular Name: 2-(2-fluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(2-fluoroanilino)imidazo[1,2-a…

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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) 3.34 8.31 -49.98 2 5 0 71 271.251 3 ↓
Mid Mid (pH 6-8) 3.34 8.25 -63.4 1 5 -1 69 270.243 3 ↓

Analogs

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Popular Name: 2-(4-cyanoanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(4-cyanoanilino)imidazo[1,2-a]…

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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) 2.98 8.59 -47.01 2 6 0 94 278.271 3 ↓
Mid Mid (pH 6-8) 2.98 8.35 -55.85 1 6 -1 93 277.263 3 ↓

Analogs

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Popular Name: 2-(2,4-difluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(2,4-difluoroanilino)imidazo[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) 3.48 8.32 -47.74 2 5 0 71 289.241 3 ↓
Mid Mid (pH 6-8) 3.48 8.31 -57.99 1 5 -1 69 288.233 3 ↓

Analogs

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Popular Name: 2-(3,5-difluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(3,5-difluoroanilino)imidazo[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) 3.48 8.31 -41.95 2 5 0 71 289.241 3 ↓
Mid Mid (pH 6-8) 3.48 8.09 -54.13 1 5 -1 69 288.233 3 ↓

Analogs

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Popular Name: 2-(3-methoxyanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(3-methoxyanilino)imidazo[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) 3.26 7.48 -43.15 2 6 0 80 283.287 4 ↓
Mid Mid (pH 6-8) 3.26 7.31 -61.71 1 6 -1 79 282.279 4 ↓

Analogs

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Popular Name: 2-(2,6-difluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(2,6-difluoroanilino)imidazo[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) 3.46 8.25 -48.98 2 5 0 71 289.241 3 ↓
Mid Mid (pH 6-8) 3.46 7.82 -68 1 5 -1 69 288.233 3 ↓

Analogs

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Popular Name: 2-(2,3-difluoroanilino)imidazo[1,2-a]pyridine-3-carboxylic 2-(2,3-difluoroanilino)imidazo[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) 3.46 8.31 -52.23 2 5 0 71 289.241 3 ↓
Mid Mid (pH 6-8) 3.46 8.31 -62.41 1 5 -1 69 288.233 3 ↓

Parameters Provided:

ring.id = 11203
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 = 11203 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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