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-(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

C88H76N16O9S — CID 158885072

IUPAC5-(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-(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
SMILESO=C1c2cc(COc3ccccc3)nn2CCN1Cc1cccc2cccnc12.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1nc2ccccc2o1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1nc2ccccc2s1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1nccc2ccccc12
InChIInChI=1S/2C23H20N4O2.C21H18N4O3.C21H18N4O2S/c28-23-21-14-19(16-29-20-9-2-1-3-10-20)25-27(21)13-12-26(23)15-18-7-4-6-17-8-5-11-24-22(17)18;28-23-22-14-18(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;2*26-21-18-12-15(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/h2*1-11,14H,12-13,15-16H2;2*1-9,12H,10-11,13-14H2
InChIKeyJDNIVOIGUDRZAM-UHFFFAOYSA-N
MW1533.75 g/mol
LogP14.32
Rot. Bonds20

About 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-(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

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-(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 (PubChem CID 158885072) has the molecular formula C88H76N16O9S and a molecular weight of 1533.75 g/mol. Its IUPAC name is 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-(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.

Molecular Properties

Compound Name5-(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-(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
PubChem CID158885072
Molecular FormulaC88H76N16O9S
Molecular Weight1533.75 g/mol
Exact Mass1532.57
IUPAC Name5-(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-(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
SMILESO=C1c2cc(COc3ccccc3)nn2CCN1Cc1cccc2cccnc12.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1nc2ccccc2o1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1nc2ccccc2s1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1nccc2ccccc12
InChIInChI=1S/2C23H20N4O2.C21H18N4O3.C21H18N4O2S/c28-23-21-14-19(16-29-20-9-2-1-3-10-20)25-27(21)13-12-26(23)15-18-7-4-6-17-8-5-11-24-22(17)18;28-23-22-14-18(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;2*26-21-18-12-15(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/h2*1-11,14H,12-13,15-16H2;2*1-9,12H,10-11,13-14H2
InChIKeyJDNIVOIGUDRZAM-UHFFFAOYSA-N
XLogP14.32
TPSA254.14 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001533.75
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 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-(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 with MolForge

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Related Compounds

1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;4-hydroxy-3-methylpent-3-en-2-one;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 157503583
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 158078406
3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;decakis(iridium);2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;5-phenyl-2-phenyl-1,3-oxazole;2-(3H-thiophen-3-id-2-yl)pyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 158451142
CID 159386640
CID 159386640
3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one;carbanide;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)quinoline;6-(4-fluorobenzene-6-id-1-yl)phenanthridine;2-(2-fluorobenzene-6-id-1-yl)quinoline;5-fluoro-1-phenylisoquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;5-phenyl-2-phenyl-1,3-oxazole;platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 159948175
tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;bis(1-phenylisoquinoline);tris(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160059048
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
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyrazole;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 162126941
[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
2-[3-(1,2,3-Benzothiadiazol-4-yl)-4-(1,3-benzothiazol-2-yl)-6-pyrazin-2-yl-1-quinolin-2-ylisoquinolin-5-yl]-1,3-benzoxazole
CID 141091610
2-isoquinolin-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;2-(1-methylbenzimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;hexakis(platinum(2+));2-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-ide;2-[11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzothiazole;2-[11-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-benzo[b][1]benzazepin-1-id-2-yl]-1,3-benzoxazole
CID 157058840
12-[3-(9,9-Diphenylfluoren-2-yl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;12-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;12-[3-(1,5-naphthyridin-2-yl)phenyl]-11-phenylindolo[2,3-i]phenanthridine;2-[4-[3-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[3-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3-benzoxazole;2-phenyl-5-[4-[3-(11-phenylindolo[2,3-i]phenanthridin-12-yl)phenyl]phenyl]-1,3,4-oxadiazole;11-phenyl-12-(3-quinolin-6-ylphenyl)indolo[2,3-i]phenanthridine
CID 157098270

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-(1,3-benzoxazol-2-ylmethyl)-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;2-(phenoxymethyl)-5-(quinolin-8-ylmethyl)-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-(1,3-benzoxazol-2-ylmethyl)-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;2-(phenoxymethyl)-5-(quinolin-8-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 158885072) is 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-(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.
What is the SMILES notation for 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-(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?
The canonical SMILES for 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-(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 is O=C1c2cc(COc3ccccc3)nn2CCN1Cc1cccc2cccnc12.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1nc2ccccc2o1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1nc2ccccc2s1.O=C1c2cc(COc3ccccc3)nn2CCN1Cc1nccc2ccccc12.
What is the InChIKey of 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-(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?
The InChIKey is JDNIVOIGUDRZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H20N4O2.C21H18N4O3.C21H18N4O2S/c28-23-21-14-19(16-29-20-9-2-1-3-10-20)25-27(21)13-12-26(23)15-18-7-4-6-17-8-5-11-24-22(17)18;28-23-22-14-18(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;2*26-21-18-12-15(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/h2*1-11,14H,12-13,15-16H2;2*1-9,12H,10-11,13-14H2.
What are the key properties of 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-(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?
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-(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 has a molecular weight of 1533.75 g/mol, XLogP of 14.32, 20 rotatable bonds, 0 hydrogen bond donors, and 22 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-(1,3-benzoxazol-2-ylmethyl)-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;2-(phenoxymethyl)-5-(quinolin-8-ylmethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 158885072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).