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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: 3-chloro-1-cyclohexyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile 3-chloro-1-cyclohexyl-6,7-dihydr…

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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) 4.11 9.15 -6.19 0 2 0 37 260.768 1 ↓

Analogs

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Popular Name: 1-cyclohexyl-3-(2-morpholino-2-oxo-ethoxy)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile 1-cyclohexyl-3-(2-morpholino-2-o…

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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) 2.69 8.59 -15.7 0 6 0 75 369.465 4 ↓

Analogs

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Popular Name: 4-chloro-N-[[(6R)-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]methyl]benzamide 4-chloro-N-[[(6R)-6-(dipropylami…

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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) 4.35 10.89 -48.05 2 4 1 46 386.947 8 ↓
Hi High (pH 8-9.5) 4.35 8.75 -7.25 1 4 0 45 385.939 8 ↓

Analogs

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Popular Name: 4-chloro-N-[[(6S)-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]methyl]benzamide 4-chloro-N-[[(6S)-6-(dipropylami…

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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) 4.35 10.63 -46.61 2 4 1 46 386.947 8 ↓
Hi High (pH 8-9.5) 4.35 8.5 -7.25 1 4 0 45 385.939 8 ↓

Analogs

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Popular Name: 1-(4-chlorophenyl)-3-[[(6R)-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]methyl]urea 1-(4-chlorophenyl)-3-[[(6R)-6-(d…

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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) 4.66 10.13 -48.83 3 5 1 58 401.962 8 ↓
Hi High (pH 8-9.5) 4.66 7.99 -8.45 2 5 0 57 400.954 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-3-[[(6S)-6-(dipropylamino)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]methyl]urea 1-(4-chlorophenyl)-3-[[(6S)-6-(d…

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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) 4.66 9.99 -47.42 3 5 1 58 401.962 8 ↓
Hi High (pH 8-9.5) 4.66 7.89 -8.37 2 5 0 57 400.954 8 ↓

Analogs

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Popular Name: N-(2-isobutylpyrazol-3-yl)-2-[5-(3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridin-4-yl)tetrazol-2-yl]ace N-(2-isobutylpyrazol-3-yl)-2-[5-…

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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) 1.48 8.24 -23.87 1 9 0 103 380.456 6 ↓
Mid Mid (pH 6-8) 1.48 8.63 -50.93 2 9 1 105 381.464 6 ↓

Analogs

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Popular Name: (5S,7R)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol (5S,7R)-7-methyl-6,7-dihydro-5H-…

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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) 0.45 1.86 -5.61 1 2 0 33 149.193 0 ↓
Lo Low (pH 4.5-6) 0.45 2.14 -32.99 2 2 1 34 150.201 0 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7S)-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-ol (5S,7S)-7-methyl-6,7-dihydro-5H-…

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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) 0.45 1.86 -5.22 1 2 0 33 149.193 0 ↓
Lo Low (pH 4.5-6) 0.45 2.14 -32.78 2 2 1 34 150.201 0 ↓

Analogs

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Popular Name: 5H-Cyclopenta[c]pyridin-5-ol, 6,7-dihydro-7-methyl-, trans- (9CI) 5H-Cyclopenta[c]pyridin-5-ol, 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) 0.45 1.87 -5.19 1 2 0 33 149.193 0 ↓
Lo Low (pH 4.5-6) 0.45 2.14 -32.79 2 2 1 34 150.201 0 ↓

Analogs

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Popular Name: 4-phenyl-1-(2-pyridinyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-3-carbonitrile 4-phenyl-1-(2-pyridinyl)-6,7-dih…

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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) 3.75 1.7 -8.65 0 3 0 49 297.361 2 ↓

Analogs

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Popular Name: 1-isopropyl-3-[4-(2-morpholino-2-oxo-acetyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyridine-4-c 1-isopropyl-3-[4-(2-morpholino-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) 1.10 7.21 -12.98 0 8 0 90 411.506 3 ↓

Analogs

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Popular Name: 2-[4-[4-cyano-1-(2-furyl)-6,7-dihydro-5H-cyclopenta[d]pyridin-3-yl]piperazin-1-yl]-N-[(2R)-2-hydroxy 2-[4-[4-cyano-1-(2-furyl)-6,7-di…

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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) 0.28 4.17 -12.65 2 9 0 123 423.473 5 ↓

Analogs

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Popular Name: 2-[4-[4-cyano-1-(2-furyl)-6,7-dihydro-5H-cyclopenta[d]pyridin-3-yl]piperazin-1-yl]-N-[(2S)-2-hydroxy 2-[4-[4-cyano-1-(2-furyl)-6,7-di…

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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) 0.28 4.07 -12.56 2 9 0 123 423.473 5 ↓

Analogs

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Popular Name: methyl 2-{[1-(4-bromophenyl)-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl}acetate methyl 2-{[1-(4-bromophenyl)-4-c…

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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) 4.25 1.8 -10.19 0 4 0 62 403.301 5 ↓
Lo Low (pH 4.5-6) 4.25 1.97 -40.15 1 4 1 64 404.309 5 ↓

Analogs

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Popular Name: 3-(cyclopentylsulfanyl)-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile 3-(cyclopentylsulfanyl)-1-phenyl…

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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) 4.98 1.72 -6.82 0 2 0 36 320.461 3 ↓

Analogs

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Popular Name: methyl 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetate methyl 2-({1-[4-(tert-butyl)phen…

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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) 5.15 3.71 -9.7 0 4 0 62 380.513 6 ↓
Lo Low (pH 4.5-6) 5.15 3.88 -36.52 1 4 1 64 381.521 6 ↓

Analogs

4052147
4052147

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Popular Name: 3-(benzylsulfanyl)-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile 3-(benzylsulfanyl)-1-(2-methylph…

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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) 5.58 2.31 -7.36 0 2 0 36 356.494 4 ↓
Lo Low (pH 4.5-6) 5.58 2.52 -29.96 1 2 1 37 357.502 4 ↓

Analogs

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Popular Name: 3-[(3-fluorobenzyl)sulfanyl]-1-(2-methylphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile 3-[(3-fluorobenzyl)sulfanyl]-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) 5.71 3.05 -7.92 0 2 0 36 374.484 4 ↓
Lo Low (pH 4.5-6) 5.71 3.25 -32.88 1 2 1 37 375.492 4 ↓

Analogs

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Popular Name: 2-({1-[4-(tert-butyl)phenyl]-4-cyano-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl}sulfanyl)acetamide 2-({1-[4-(tert-butyl)phenyl]-4-c…

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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) 4.02 -0.33 -12.69 2 4 0 79 365.502 5 ↓
Lo Low (pH 4.5-6) 4.02 -0.16 -40.06 3 4 1 81 366.51 5 ↓

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) 3.55 4.17 -12 0 6 0 80 396.394 7 ↓

Analogs

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Popular Name: 3-[(4-bromopyrazol-1-yl)methylsulfanyl]-5-(trifluoromethyl)-4-azabicyclo[4.3.0]nona-1,3,5-triene-2-c 3-[(4-bromopyrazol-1-yl)methylsu…

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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) 3.84 2.46 -7.85 0 4 0 54 403.227 4 ↓

Parameters Provided:

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filter.purchasability = annotated
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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 = 8051 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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