5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C188H173F6N29O18 — CID 160613204

IUPAC5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H](c1ccccc1)N1CCn2nc(COc3ccccc3)cc2C1=O.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1F.Cc1cccc(OCc2cc3n(n2)CCN(Cc2ccccc2)C3=O)c1.N#Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1c(F)cccc1F.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1cc(F)ccc1F.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1nccc2ccccc12.O=C1c2cc(COc3ccccc3F)nn2CCN1Cc1ccccc1
InChIInChI=1S/C23H20N4O2.C21H20FN3O2.C21H18N4O2.3C21H21N3O2.2C20H17F2N3O2.C20H18FN3O2/c28-23-22-14-18(16-29-19-7-2-1-3-8-19)25-27(22)13-12-26(23)15-21-20-9-5-4-6-17(20)10-11-24-21;1-15-7-8-16(11-19(15)22)13-24-9-10-25-20(21(24)26)12-17(23-25)14-27-18-5-3-2-4-6-18;22-13-16-5-4-6-17(11-16)14-24-9-10-25-20(21(24)26)12-18(23-25)15-27-19-7-2-1-3-8-19;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;1-16-6-5-9-19(12-16)26-15-18-13-20-21(25)23(10-11-24(20)22-18)14-17-7-3-2-4-8-17;1-16-7-9-17(10-8-16)14-23-11-12-24-20(21(23)25)13-18(22-24)15-26-19-5-3-2-4-6-19;21-17-7-4-8-18(22)16(17)12-24-9-10-25-19(20(24)26)11-14(23-25)13-27-15-5-2-1-3-6-15;21-15-6-7-18(22)14(10-15)12-24-8-9-25-19(20(24)26)11-16(23-25)13-27-17-4-2-1-3-5-17;21-17-8-4-5-9-19(17)26-14-16-12-18-20(25)23(10-11-24(18)22-16)13-15-6-2-1-3-7-15/h1-11,14H,12-13,15-16H2;2-8,11-12H,9-10,13-14H2,1H3;1-8,11-12H,9-10,14-15H2;2-11,14,16H,12-13,15H2,1H3;2-9,12-13H,10-11,14-15H2,1H3;2-10,13H,11-12,14-15H2,1H3;1-8,11H,9-10,12-13H2;1-7,10-11H,8-9,12-13H2;1-9,12H,10-11,13-14H2/t;;;16-;;;;;/m...0...../s1
InChIKeyRFTBGXUOKREIRR-OOJAFRBCSA-N
MW3240.62 g/mol
LogP30.80
Rot. Bonds45

About 5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 160613204) has the molecular formula C188H173F6N29O18 and a molecular weight of 3240.62 g/mol. Its IUPAC name is 5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID160613204
Molecular FormulaC188H173F6N29O18
Molecular Weight3240.62 g/mol
Exact Mass3238.34
IUPAC Name5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H](c1ccccc1)N1CCn2nc(COc3ccccc3)cc2C1=O.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1F.Cc1cccc(OCc2cc3n(n2)CCN(Cc2ccccc2)C3=O)c1.N#Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1c(F)cccc1F.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1cc(F)ccc1F.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1nccc2ccccc12.O=C1c2cc(COc3ccccc3F)nn2CCN1Cc1ccccc1
InChIInChI=1S/C23H20N4O2.C21H20FN3O2.C21H18N4O2.3C21H21N3O2.2C20H17F2N3O2.C20H18FN3O2/c28-23-22-14-18(16-29-19-7-2-1-3-8-19)25-27(22)13-12-26(23)15-21-20-9-5-4-6-17(20)10-11-24-21;1-15-7-8-16(11-19(15)22)13-24-9-10-25-20(21(24)26)12-17(23-25)14-27-18-5-3-2-4-6-18;22-13-16-5-4-6-17(11-16)14-24-9-10-25-20(21(24)26)12-18(23-25)15-27-19-7-2-1-3-8-19;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;1-16-6-5-9-19(12-16)26-15-18-13-20-21(25)23(10-11-24(20)22-18)14-17-7-3-2-4-8-17;1-16-7-9-17(10-8-16)14-23-11-12-24-20(21(23)25)13-18(22-24)15-26-19-5-3-2-4-6-19;21-17-7-4-8-18(22)16(17)12-24-9-10-25-19(20(24)26)11-14(23-25)13-27-15-5-2-1-3-6-15;21-15-6-7-18(22)14(10-15)12-24-8-9-25-19(20(24)26)11-16(23-25)13-27-17-4-2-1-3-5-17;21-17-8-4-5-9-19(17)26-14-16-12-18-20(25)23(10-11-24(18)22-16)13-15-6-2-1-3-7-15/h1-11,14H,12-13,15-16H2;2-8,11-12H,9-10,13-14H2,1H3;1-8,11-12H,9-10,14-15H2;2-11,14,16H,12-13,15H2,1H3;2-9,12-13H,10-11,14-15H2,1H3;2-10,13H,11-12,14-15H2,1H3;1-8,11H,9-10,12-13H2;1-7,10-11H,8-9,12-13H2;1-9,12H,10-11,13-14H2/t;;;16-;;;;;/m...0...../s1
InChIKeyRFTBGXUOKREIRR-OOJAFRBCSA-N
XLogP30.80
TPSA462.92 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds45
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003240.62
LogP ≤ 530.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 160613204) is 5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@@H](c1ccccc1)N1CCn2nc(COc3ccccc3)cc2C1=O.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1F.Cc1cccc(OCc2cc3n(n2)CCN(Cc2ccccc2)C3=O)c1.N#Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1c(F)cccc1F.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1cc(F)ccc1F.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1nccc2ccccc12.O=C1c2cc(COc3ccccc3F)nn2CCN1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is RFTBGXUOKREIRR-OOJAFRBCSA-N. The full InChI is InChI=1S/C23H20N4O2.C21H20FN3O2.C21H18N4O2.3C21H21N3O2.2C20H17F2N3O2.C20H18FN3O2/c28-23-22-14-18(16-29-19-7-2-1-3-8-19)25-27(22)13-12-26(23)15-21-20-9-5-4-6-17(20)10-11-24-21;1-15-7-8-16(11-19(15)22)13-24-9-10-25-20(21(24)26)12-17(23-25)14-27-18-5-3-2-4-6-18;22-13-16-5-4-6-17(11-16)14-24-9-10-25-20(21(24)26)12-18(23-25)15-27-19-7-2-1-3-8-19;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;1-16-6-5-9-19(12-16)26-15-18-13-20-21(25)23(10-11-24(20)22-18)14-17-7-3-2-4-8-17;1-16-7-9-17(10-8-16)14-23-11-12-24-20(21(23)25)13-18(22-24)15-26-19-5-3-2-4-6-19;21-17-7-4-8-18(22)16(17)12-24-9-10-25-19(20(24)26)11-14(23-25)13-27-15-5-2-1-3-6-15;21-15-6-7-18(22)14(10-15)12-24-8-9-25-19(20(24)26)11-16(23-25)13-27-17-4-2-1-3-5-17;21-17-8-4-5-9-19(17)26-14-16-12-18-20(25)23(10-11-24(18)22-16)13-15-6-2-1-3-7-15/h1-11,14H,12-13,15-16H2;2-8,11-12H,9-10,13-14H2,1H3;1-8,11-12H,9-10,14-15H2;2-11,14,16H,12-13,15H2,1H3;2-9,12-13H,10-11,14-15H2,1H3;2-10,13H,11-12,14-15H2,1H3;1-8,11H,9-10,12-13H2;1-7,10-11H,8-9,12-13H2;1-9,12H,10-11,13-14H2/t;;;16-;;;;;/m...0...../s1.
What are the key properties of 5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 3240.62 g/mol, XLogP of 30.80, 45 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[(2-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-methylphenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,5-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,6-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;3-[[4-oxo-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 160613204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).