(6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C164H155Cl2F2N27O16 — CID 159627612

IUPAC(6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H](c1ccccc1)N1CCn2nc(COc3ccccc3)cc2C1=O.Cc1ccc(F)cc1CN1CCn2nc(COc3ccccc3)cc2C1=O.Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1Cl.Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1F.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1ccccc1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1ncccc1Cl.O=C1c2cc(COc3ccccn3)nn2CCN1Cc1ccccc1.[C-]#[N+]c1cccc(OCc2cc3n(n2)C[C@@H](C)N(Cc2ccccc2)C3=O)c1
InChIInChI=1S/C22H20N4O2.C21H20ClN3O2.2C21H20FN3O2.C21H21N3O2.C20H19N3O2.C19H17ClN4O2.C19H18N4O2/c1-16-13-26-21(22(27)25(16)14-17-7-4-3-5-8-17)12-19(24-26)15-28-20-10-6-9-18(11-20)23-2;2*1-15-6-5-7-16(20(15)22)13-24-10-11-25-19(21(24)26)12-17(23-25)14-27-18-8-3-2-4-9-18;1-15-7-8-17(22)11-16(15)13-24-9-10-25-20(21(24)26)12-18(23-25)14-27-19-5-3-2-4-6-19;1-16(17-8-4-2-5-9-17)23-12-13-24-20(21(23)25)14-18(22-24)15-26-19-10-6-3-7-11-19;24-20-19-13-17(15-25-18-9-5-2-6-10-18)21-23(19)12-11-22(20)14-16-7-3-1-4-8-16;20-16-7-4-8-21-17(16)12-23-9-10-24-18(19(23)25)11-14(22-24)13-26-15-5-2-1-3-6-15;24-19-17-12-16(14-25-18-8-4-5-9-20-18)21-23(17)11-10-22(19)13-15-6-2-1-3-7-15/h3-12,16H,13-15H2,1H3;2*2-9,12H,10-11,13-14H2,1H3;2-8,11-12H,9-10,13-14H2,1H3;2-11,14,16H,12-13,15H2,1H3;1-10,13H,11-12,14-15H2;1-8,11H,9-10,12-13H2;1-9,12H,10-11,13-14H2/t16-;;;;16-;;;/m1...1.../s1
InChIKeyMORXQIUBSQVUOB-UEGUVSNDSA-N
MW2869.12 g/mol
LogP27.75
Rot. Bonds40

About (6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

(6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 159627612) has the molecular formula C164H155Cl2F2N27O16 and a molecular weight of 2869.12 g/mol. Its IUPAC name is (6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID159627612
Molecular FormulaC164H155Cl2F2N27O16
Molecular Weight2869.12 g/mol
Exact Mass2866.15
IUPAC Name(6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@H](c1ccccc1)N1CCn2nc(COc3ccccc3)cc2C1=O.Cc1ccc(F)cc1CN1CCn2nc(COc3ccccc3)cc2C1=O.Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1Cl.Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1F.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1ccccc1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1ncccc1Cl.O=C1c2cc(COc3ccccn3)nn2CCN1Cc1ccccc1.[C-]#[N+]c1cccc(OCc2cc3n(n2)C[C@@H](C)N(Cc2ccccc2)C3=O)c1
InChIInChI=1S/C22H20N4O2.C21H20ClN3O2.2C21H20FN3O2.C21H21N3O2.C20H19N3O2.C19H17ClN4O2.C19H18N4O2/c1-16-13-26-21(22(27)25(16)14-17-7-4-3-5-8-17)12-19(24-26)15-28-20-10-6-9-18(11-20)23-2;2*1-15-6-5-7-16(20(15)22)13-24-10-11-25-19(21(24)26)12-17(23-25)14-27-18-8-3-2-4-9-18;1-15-7-8-17(22)11-16(15)13-24-9-10-25-20(21(24)26)12-18(23-25)14-27-19-5-3-2-4-6-19;1-16(17-8-4-2-5-9-17)23-12-13-24-20(21(23)25)14-18(22-24)15-26-19-10-6-3-7-11-19;24-20-19-13-17(15-25-18-9-5-2-6-10-18)21-23(19)12-11-22(20)14-16-7-3-1-4-8-16;20-16-7-4-8-21-17(16)12-23-9-10-24-18(19(23)25)11-14(22-24)13-26-15-5-2-1-3-6-15;24-19-17-12-16(14-25-18-8-4-5-9-20-18)21-23(17)11-10-22(19)13-15-6-2-1-3-7-15/h3-12,16H,13-15H2,1H3;2*2-9,12H,10-11,13-14H2,1H3;2-8,11-12H,9-10,13-14H2,1H3;2-11,14,16H,12-13,15H2,1H3;1-10,13H,11-12,14-15H2;1-8,11H,9-10,12-13H2;1-9,12H,10-11,13-14H2/t16-;;;;16-;;;/m1...1.../s1
InChIKeyMORXQIUBSQVUOB-UEGUVSNDSA-N
XLogP27.75
TPSA409.02 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds40
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002869.12
LogP ≤ 527.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

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Related Compounds

(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[(2-chloro-4-pyridinyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;[2-[(2-isocyano-4-pyridinyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(6-methyl-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
CID 157079462
(3-chloro-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;bis(4,4-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one);2-ethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;(5-methyl-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylcyclopropyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;3,3,3-trifluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
CID 157342748
CID 158280443
CID 158280443
(3-chloro-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;3,3-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)butan-1-one;4,4-difluoro-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;4,4-dimethyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)pentan-1-one;2-ethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone;(3-fluoro-3-methylcyclobutyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(5-methyl-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylcyclopropyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;2-phenylmethoxy-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
CID 158792334
2-[4-[4-chloro-6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[4-[4-chloro-2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-[4-[6-(6-chloro-5-methoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrazol-4-yl]-5-(5,6-dimethoxy-3-pyridinyl)-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;(2S)-2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]propanenitrile;2-[4-[2-(5,6-dimethoxy-3-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetamide
CID 158933065
(3-chloro-5-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[3-(1,1-difluoroethyl)-4-fluorophenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;3H-isoindol-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 159140384
2-bicyclo[2.2.1]heptanyl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-chlorophenyl)-[2-[(4-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2,5-difluorophenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(4-isocyanophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[4-methyl-3-(trifluoromethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
CID 159297410
6-[[2-chloro-4-(6-chloro-5-methyl-3-pyridinyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[2-chloro-4-(4-methoxyphenyl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
CID 159798911
(3-chloro-4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[(3-fluorophenyl)methoxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methylphenyl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(6-methyl-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 159857165
CID 159957192
CID 159957192
(3-chloro-4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-fluoro-5-methylphenyl)-[2-[(3-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(6-methyl-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[2-(trifluoromethyl)phenyl]methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
CID 160246509
(4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[(3-fluorophenyl)methoxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methylphenyl)methanone;(3-methoxypyrazin-2-yl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(6-methyl-2-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 161389691

Frequently Asked Questions

What is the IUPAC name of (6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 159627612) is (6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@H](c1ccccc1)N1CCn2nc(COc3ccccc3)cc2C1=O.Cc1ccc(F)cc1CN1CCn2nc(COc3ccccc3)cc2C1=O.Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1Cl.Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1F.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1ccccc1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1ncccc1Cl.O=C1c2cc(COc3ccccn3)nn2CCN1Cc1ccccc1.[C-]#[N+]c1cccc(OCc2cc3n(n2)C[C@@H](C)N(Cc2ccccc2)C3=O)c1.
What is the InChIKey of (6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is MORXQIUBSQVUOB-UEGUVSNDSA-N. The full InChI is InChI=1S/C22H20N4O2.C21H20ClN3O2.2C21H20FN3O2.C21H21N3O2.C20H19N3O2.C19H17ClN4O2.C19H18N4O2/c1-16-13-26-21(22(27)25(16)14-17-7-4-3-5-8-17)12-19(24-26)15-28-20-10-6-9-18(11-20)23-2;2*1-15-6-5-7-16(20(15)22)13-24-10-11-25-19(21(24)26)12-17(23-25)14-27-18-8-3-2-4-9-18;1-15-7-8-17(22)11-16(15)13-24-9-10-25-20(21(24)26)12-18(23-25)14-27-19-5-3-2-4-6-19;1-16(17-8-4-2-5-9-17)23-12-13-24-20(21(23)25)14-18(22-24)15-26-19-10-6-3-7-11-19;24-20-19-13-17(15-25-18-9-5-2-6-10-18)21-23(19)12-11-22(20)14-16-7-3-1-4-8-16;20-16-7-4-8-21-17(16)12-23-9-10-24-18(19(23)25)11-14(22-24)13-26-15-5-2-1-3-6-15;24-19-17-12-16(14-25-18-8-4-5-9-20-18)21-23(17)11-10-22(19)13-15-6-2-1-3-7-15/h3-12,16H,13-15H2,1H3;2*2-9,12H,10-11,13-14H2,1H3;2-8,11-12H,9-10,13-14H2,1H3;2-11,14,16H,12-13,15H2,1H3;1-10,13H,11-12,14-15H2;1-8,11H,9-10,12-13H2;1-9,12H,10-11,13-14H2/t16-;;;;16-;;;/m1...1.../s1.
What are the key properties of (6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 2869.12 g/mol, XLogP of 27.75, 40 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-benzyl-2-[(3-isocyanophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chloro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(5-fluoro-2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 159627612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).