ZINC 12

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64542594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-methyl-phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(2-chloro-4-methyl-phenyl)-4,5…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.39	7.22	-9.12	1	4	0	47	289.766	2	↓ MOL2 SDF SMILES Flexibase

64542600

Analogs

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Popular Name: N-(p-tolyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(p-tolyl)-4,5,6,7-tetrahydropy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.79	6.61	-10.47	1	4	0	47	255.321	2	↓ MOL2 SDF SMILES Flexibase

64542601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(o-tolyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(o-tolyl)-4,5,6,7-tetrahydropy…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	6.84	-10.48	1	4	0	47	255.321	2	↓ MOL2 SDF SMILES Flexibase

64542605

Analogs

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Popular Name: N-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(3-methoxyphenyl)-4,5,6,7-tetr…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.37	5.23	-13.4	1	5	0	56	271.32	3	↓ MOL2 SDF SMILES Flexibase

64542606

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(4-methoxyphenyl)-4,5,6,7-tetr…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.39	5.22	-11.36	1	5	0	56	271.32	3	↓ MOL2 SDF SMILES Flexibase

64542610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(2,5-dimethylphenyl)-4,5,6,7-t…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.16	7.45	-10.69	1	4	0	47	269.348	2	↓ MOL2 SDF SMILES Flexibase

64542611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(2,4-dimethylphenyl)-4,5,6,7-t…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.16	7.5	-10.54	1	4	0	47	269.348	2	↓ MOL2 SDF SMILES Flexibase

64542617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(2,6-difluorophenyl)-4,5,6,7-t…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.57	6.18	-13.96	1	4	0	47	277.274	2	↓ MOL2 SDF SMILES Flexibase

64542618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(3-fluorophenyl)-4,5,6,7-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.48	6.01	-11.87	1	4	0	47	259.284	2	↓ MOL2 SDF SMILES Flexibase

64542619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(3,5-difluorophenyl)-4,5,6,7-t…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	6.08	-8.74	1	4	0	47	277.274	2	↓ MOL2 SDF SMILES Flexibase

64542620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-2-methyl-phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(4-fluoro-2-methyl-phenyl)-4,5…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	6.9	-9.42	1	4	0	47	273.311	2	↓ MOL2 SDF SMILES Flexibase

64542621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(2,4-difluorophenyl)-4,5,6,7-t…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	6.11	-7.62	1	4	0	47	277.274	2	↓ MOL2 SDF SMILES Flexibase

64542622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(2,5-difluorophenyl)-4,5,6,7-t…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	6.11	-9.7	1	4	0	47	277.274	2	↓ MOL2 SDF SMILES Flexibase

64542623

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(3,4-difluorophenyl)-4,5,6,7-t…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	6.06	-8.78	1	4	0	47	277.274	2	↓ MOL2 SDF SMILES Flexibase

64542628

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-3-methyl-phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(4-fluoro-3-methyl-phenyl)-4,5…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	6.64	-9.77	1	4	0	47	273.311	2	↓ MOL2 SDF SMILES Flexibase

64542629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-2-methyl-phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(3-fluoro-2-methyl-phenyl)-4,5…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.85	6.82	-8.92	1	4	0	47	273.311	2	↓ MOL2 SDF SMILES Flexibase

64542630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-4-methyl-phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(2-fluoro-4-methyl-phenyl)-4,5…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	6.72	-9.53	1	4	0	47	273.311	2	↓ MOL2 SDF SMILES Flexibase

64542631

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-5-methyl-phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(2-fluoro-5-methyl-phenyl)-4,5…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	6.72	-10.15	1	4	0	47	273.311	2	↓ MOL2 SDF SMILES Flexibase

64542632

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-fluoro-2-methyl-phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(5-fluoro-2-methyl-phenyl)-4,5…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	6.9	-11.79	1	4	0	47	273.311	2	↓ MOL2 SDF SMILES Flexibase

64542633

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-4-fluoro-phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(2-chloro-4-fluoro-phenyl)-4,5…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	6.62	-7.46	1	4	0	47	293.729	2	↓ MOL2 SDF SMILES Flexibase

64542635

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-fluoro-phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(3-chloro-2-fluoro-phenyl)-4,5…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	6.54	-8.92	1	4	0	47	293.729	2	↓ MOL2 SDF SMILES Flexibase

64542636

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-fluoro-phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(4-chloro-2-fluoro-phenyl)-4,5…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	6.56	-7.52	1	4	0	47	293.729	2	↓ MOL2 SDF SMILES Flexibase

64542638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(2-ethylphenyl)-4,5,6,7-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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	7.6	-10.25	1	4	0	47	269.348	3	↓ MOL2 SDF SMILES Flexibase

64542639

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chloro-2-methyl-phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide N-(4-chloro-2-methyl-phenyl)-4,5…

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.39	7.34	-9.05	1	4	0	47	289.766	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 367858
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 = 367858 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=367858&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "367858"        

    });
</script>

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