5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C99H91F3N20O11S — CID 158369348

IUPAC5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1nccnc1CN1CCn2nc(COc3cccc(F)c3)cc2C1=O.Cc1cccnc1CN1CCn2nc(COc3ccccc3)cc2C1=O.O=C1c2cc(COc3cccc(F)c3)nn2CCN1Cc1ncccc1F.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1ccccc1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1nc2ccccc2s1
InChIInChI=1S/C21H18N4O2S.C20H20N4O2.C20H19N3O2.C19H16F2N4O2.C19H18FN5O3/c26-21-18-12-15(14-27-16-6-2-1-3-7-16)23-25(18)11-10-24(21)13-20-22-17-8-4-5-9-19(17)28-20;1-15-6-5-9-21-18(15)13-23-10-11-24-19(20(23)25)12-16(22-24)14-26-17-7-3-2-4-8-17;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;20-13-3-1-4-15(9-13)27-12-14-10-18-19(26)24(7-8-25(18)23-14)11-17-16(21)5-2-6-22-17;1-27-18-16(21-5-6-22-18)11-24-7-8-25-17(19(24)26)10-14(23-25)12-28-15-4-2-3-13(20)9-15/h1-9,12H,10-11,13-14H2;2-9,12H,10-11,13-14H2,1H3;1-10,13H,11-12,14-15H2;1-6,9-10H,7-8,11-12H2;2-6,9-10H,7-8,11-12H2,1H3
InChIKeyGUKRFCVBXUCGEN-UHFFFAOYSA-N
MW1826.01 g/mol
LogP14.51
Rot. Bonds26

About 5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 158369348) has the molecular formula C99H91F3N20O11S and a molecular weight of 1826.01 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID158369348
Molecular FormulaC99H91F3N20O11S
Molecular Weight1826.01 g/mol
Exact Mass1824.68
IUPAC Name5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1nccnc1CN1CCn2nc(COc3cccc(F)c3)cc2C1=O.Cc1cccnc1CN1CCn2nc(COc3ccccc3)cc2C1=O.O=C1c2cc(COc3cccc(F)c3)nn2CCN1Cc1ncccc1F.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1ccccc1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1nc2ccccc2s1
InChIInChI=1S/C21H18N4O2S.C20H20N4O2.C20H19N3O2.C19H16F2N4O2.C19H18FN5O3/c26-21-18-12-15(14-27-16-6-2-1-3-7-16)23-25(18)11-10-24(21)13-20-22-17-8-4-5-9-19(17)28-20;1-15-6-5-9-21-18(15)13-23-10-11-24-19(20(23)25)12-16(22-24)14-26-17-7-3-2-4-8-17;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;20-13-3-1-4-15(9-13)27-12-14-10-18-19(26)24(7-8-25(18)23-14)11-17-16(21)5-2-6-22-17;1-27-18-16(21-5-6-22-18)11-24-7-8-25-17(19(24)26)10-14(23-25)12-28-15-4-2-3-13(20)9-15/h1-9,12H,10-11,13-14H2;2-9,12H,10-11,13-14H2,1H3;1-10,13H,11-12,14-15H2;1-6,9-10H,7-8,11-12H2;2-6,9-10H,7-8,11-12H2,1H3
InChIKeyGUKRFCVBXUCGEN-UHFFFAOYSA-N
XLogP14.51
TPSA310.48 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.01
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

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Related Compounds

2-[3,4-Bis(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);4,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-oxazole;hexakis(iridium);2-methyl-5-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3,4-oxadiazole;2-phenyl-1,3-benzothiazole;2-phenylpyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-1,3-benzoxazole;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 160363464
[2-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carbonyl]-6-(1,3-benzothiazol-2-ylmethoxy)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(3,3-difluorobutan-2-yl)piperazine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2,2-difluoropropyl)piperazine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(2-fluoropropyl)piperazine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-[4-(4-methylpyrazol-1-yl)piperazine-1-carbonyl]quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone;[6-(1,3-benzothiazol-2-ylmethoxy)-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 167565088
(6R)-5-benzyl-2-[(4-fluorophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-5-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methoxyphenyl)methyl]-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157264642
2-[4-(4-Diphenylphosphorylphenyl)phenyl]pyrazolo[1,5-a]quinoline;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-a]quinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-a]quinoline
CID 157280491
(6R)-5-benzyl-2-[(3-fluorophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-benzyl-2-[(4-fluorophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-chlorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-5-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157299118
(6R)-5-benzyl-2-[(4-fluorophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-7-methyl-2-(pyridin-2-yloxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-5-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157327667
5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(1,3-benzoxazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-7,7-dimethyl-2-(phenoxymethyl)-6H-pyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-[(3-isocyanophenoxy)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-(isoquinolin-1-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-(quinolin-8-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157563819
5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(1,3-benzoxazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,4-dimethylfuran-3-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1S)-1-(4-methylphenyl)ethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2H-pyrrol-5-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157586096
(6R)-5-benzyl-2-[(4-fluorophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157730631
2-Pyrazolo[1,5-b]isoquinolin-2-yl-1,3-benzothiazole;2-pyrazolo[1,5-b]isoquinolin-2-yl-1,3-benzoxazole;2-quinolin-3-ylpyrazolo[1,5-b]isoquinoline;2-quinolin-7-ylpyrazolo[1,5-b]isoquinoline
CID 157977404
(6R)-5-benzyl-2-[(4-fluorophenoxy)methyl]-6-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158066245
1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-(1,3,4-oxadiazol-2-yl)-2-propan-2-ylpyrrolo[3,2-c]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-(2-methylpropoxy)-2-propan-2-yl-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-5-oxo-2-propan-2-yl-1-(pyridin-2-ylmethyl)-6-(1,3-thiazol-2-yloxy)-4H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 158085484

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 158369348) is 5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1nccnc1CN1CCn2nc(COc3cccc(F)c3)cc2C1=O.Cc1cccnc1CN1CCn2nc(COc3ccccc3)cc2C1=O.O=C1c2cc(COc3cccc(F)c3)nn2CCN1Cc1ncccc1F.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1ccccc1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1nc2ccccc2s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is GUKRFCVBXUCGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S.C20H20N4O2.C20H19N3O2.C19H16F2N4O2.C19H18FN5O3/c26-21-18-12-15(14-27-16-6-2-1-3-7-16)23-25(18)11-10-24(21)13-20-22-17-8-4-5-9-19(17)28-20;1-15-6-5-9-21-18(15)13-23-10-11-24-19(20(23)25)12-16(22-24)14-26-17-7-3-2-4-8-17;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;20-13-3-1-4-15(9-13)27-12-14-10-18-19(26)24(7-8-25(18)23-14)11-17-16(21)5-2-6-22-17;1-27-18-16(21-5-6-22-18)11-24-7-8-25-17(19(24)26)10-14(23-25)12-28-15-4-2-3-13(20)9-15/h1-9,12H,10-11,13-14H2;2-9,12H,10-11,13-14H2,1H3;1-10,13H,11-12,14-15H2;1-6,9-10H,7-8,11-12H2;2-6,9-10H,7-8,11-12H2,1H3.
What are the key properties of 5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 1826.01 g/mol, XLogP of 14.51, 26 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-ylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-benzyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-fluoro-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3-methoxypyrazin-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 158369348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).