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Analogs

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Popular Name: 1-[5-(3-methoxyphenyl)-1,4-diazabicyclo[4.3.0]nona-6,8-dien-4-yl]pentan-1-one 1-[5-(3-methoxyphenyl)-1,4-diaza…

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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) 3.90 1.55 -15.23 0 4 0 34 312.413 5 ↓

Analogs

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Popular Name: 1-[5-(3-methoxyphenyl)-1,4-diazabicyclo[4.3.0]nona-6,8-dien-4-yl]pentan-1-one 1-[5-(3-methoxyphenyl)-1,4-diaza…

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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) 3.90 1.34 -12.6 0 4 0 34 312.413 5 ↓

Analogs

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Popular Name: 1-[5-(3-methoxyphenyl)-1,4-diazabicyclo[4.3.0]nona-6,8-dien-4-yl]hexan-1-one 1-[5-(3-methoxyphenyl)-1,4-diaza…

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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) 4.41 1.67 -15.1 0 4 0 34 326.44 6 ↓

Analogs

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Popular Name: 1-[5-(3-methoxyphenyl)-1,4-diazabicyclo[4.3.0]nona-6,8-dien-4-yl]hexan-1-one 1-[5-(3-methoxyphenyl)-1,4-diaza…

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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) 4.41 1.46 -12.99 0 4 0 34 326.44 6 ↓

Analogs

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Popular Name: 1-[5-(3-methoxyphenyl)-1,4-diazabicyclo[4.3.0]nona-6,8-dien-4-yl]heptan-1-one 1-[5-(3-methoxyphenyl)-1,4-diaza…

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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) 4.91 1.81 -12.66 0 4 0 34 340.467 7 ↓

Analogs

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Popular Name: 1-[5-(3-methoxyphenyl)-1,4-diazabicyclo[4.3.0]nona-6,8-dien-4-yl]heptan-1-one 1-[5-(3-methoxyphenyl)-1,4-diaza…

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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) 4.91 1.58 -12.58 0 4 0 34 340.467 7 ↓

Analogs

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Popular Name: 2-ethyl-1-[5-(m-tolyl)-1,4-diazabicyclo[4.3.0]nona-6,8-dien-4-yl]-hexan-1-one 2-ethyl-1-[5-(m-tolyl)-1,4-diaza…

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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) 5.54 2.43 -11.85 0 3 0 25 338.495 6 ↓

Analogs

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Popular Name: 2-ethyl-1-[5-(m-tolyl)-1,4-diazabicyclo[4.3.0]nona-6,8-dien-4-yl]-hexan-1-one 2-ethyl-1-[5-(m-tolyl)-1,4-diaza…

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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) 5.54 2.25 -10.02 0 3 0 25 338.495 6 ↓

Analogs

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Popular Name: 2-ethyl-1-[5-(m-tolyl)-1,4-diazabicyclo[4.3.0]nona-6,8-dien-4-yl]-hexan-1-one 2-ethyl-1-[5-(m-tolyl)-1,4-diaza…

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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) 5.54 2.32 -12.23 0 3 0 25 338.495 6 ↓

Analogs

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Popular Name: 2-ethyl-1-[5-(m-tolyl)-1,4-diazabicyclo[4.3.0]nona-6,8-dien-4-yl]-hexan-1-one 2-ethyl-1-[5-(m-tolyl)-1,4-diaza…

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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) 5.54 2.12 -10.38 0 3 0 25 338.495 6 ↓

Analogs

35502745
35502745

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Popular Name: 2-[(1R)-1-(p-tolyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetic 2-[(1R)-1-(p-tolyl)-3,4-dihydro-…

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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) 1.38 10.54 -27.26 1 4 0 49 270.332 3 ↓
Hi High (pH 8-9.5) 1.38 8.83 -45.8 0 4 -1 48 269.324 3 ↓

Analogs

35502741
35502741

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Popular Name: 2-[(1S)-1-(p-tolyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetic 2-[(1S)-1-(p-tolyl)-3,4-dihydro-…

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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) 1.38 10.54 -27.24 1 4 0 49 270.332 3 ↓
Hi High (pH 8-9.5) 1.38 8.83 -45.81 0 4 -1 48 269.324 3 ↓

Analogs

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Popular Name: (1R)-1-(3-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (1R)-1-(3-fluorophenyl)-1,2,3,4-…

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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) 2.50 6.09 -6.49 1 2 0 17 216.259 1 ↓
Mid Mid (pH 6-8) 2.50 7.17 -45.4 2 2 1 22 217.267 1 ↓

Analogs

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Popular Name: (1S)-1-(3-fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (1S)-1-(3-fluorophenyl)-1,2,3,4-…

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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) 2.50 5.84 -5.65 1 2 0 17 216.259 1 ↓
Mid Mid (pH 6-8) 2.50 7.16 -45.42 2 2 1 22 217.267 1 ↓

Analogs

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Popular Name: 1-(2-Fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine 1-(2-Fluorophenyl)-1,2,3,4-tetra…

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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 6.16 -7.19 1 2 0 17 216.259 1 ↓

Analogs

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Popular Name: 1-(2-Fluorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine 1-(2-Fluorophenyl)-1,2,3,4-tetra…

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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 5.84 -6.99 1 2 0 17 216.259 1 ↓

Analogs

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Popular Name: N-[(2R)-2-cyanopropyl]-N-ethyl-2-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide N-[(2R)-2-cyanopropyl]-N-ethyl-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) 2.86 10.6 -12.33 0 5 0 52 350.466 6 ↓
Mid Mid (pH 6-8) 2.86 12.33 -46.57 1 5 1 53 351.474 6 ↓

Analogs

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Popular Name: N-[(2S)-2-cyanopropyl]-N-ethyl-2-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide N-[(2S)-2-cyanopropyl]-N-ethyl-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) 2.86 10.58 -13.1 0 5 0 52 350.466 6 ↓
Mid Mid (pH 6-8) 2.86 12.31 -46.53 1 5 1 53 351.474 6 ↓

Analogs

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Popular Name: 2-methyl-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine 2-methyl-1-phenyl-1,2,3,4-tetrah…

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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) 2.60 7.26 -5.11 0 2 0 8 212.296 1 ↓

Analogs

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Popular Name: N,N-bis(2-cyanoethyl)-2-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide N,N-bis(2-cyanoethyl)-2-[(1R)-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) 0.87 10.63 -19.01 0 6 0 76 361.449 7 ↓
Lo Low (pH 4.5-6) 0.87 12.37 -58.05 1 6 1 77 362.457 7 ↓

Analogs

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Popular Name: N,N-bis(2-cyanoethyl)-2-[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide N,N-bis(2-cyanoethyl)-2-[(1S)-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) 0.87 10.64 -19.16 0 6 0 76 361.449 7 ↓
Lo Low (pH 4.5-6) 0.87 12.37 -58.09 1 6 1 77 362.457 7 ↓

Analogs

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Popular Name: (1R)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (1R)-1-(3,4-dichlorophenyl)-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) 3.64 6.77 -5.2 1 2 0 17 267.159 1 ↓

Analogs

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Popular Name: (1S)-1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (1S)-1-(3,4-dichlorophenyl)-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) 3.64 7 -5.2 1 2 0 17 267.159 1 ↓

Analogs

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Popular Name: (1S)-N-methyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (1S)-N-methyl-1-phenyl-3,4-dihyd…

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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) 2.81 6.92 -9.62 1 4 0 37 255.321 1 ↓

Analogs

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Popular Name: (1R)-N-methyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (1R)-N-methyl-1-phenyl-3,4-dihyd…

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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) 2.81 6.78 -11.61 1 4 0 37 255.321 1 ↓

Parameters Provided:

ring.id = 3059
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 = 3059 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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