2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C73H79F7N12O10 — CID 159758114

IUPAC2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC1(C(F)(F)F)CC(CN2CCn3nc(COc4cccc(F)c4)cc3C2=O)C1.CC1CC(CN2CCn3nc(COc4cccc(F)c4)cc3C2=O)C1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@@H]1CCO1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@H]1CCO1
InChIInChI=1S/C20H21F4N3O2.C19H22FN3O2.2C17H18FN3O3/c1-19(20(22,23)24)9-13(10-19)11-26-5-6-27-17(18(26)28)8-15(25-27)12-29-16-4-2-3-14(21)7-16;1-13-7-14(8-13)11-22-5-6-23-18(19(22)24)10-16(21-23)12-25-17-4-2-3-15(20)9-17;2*18-12-2-1-3-14(8-12)24-11-13-9-16-17(22)20(5-6-21(16)19-13)10-15-4-7-23-15/h2-4,7-8,13H,5-6,9-12H2,1H3;2-4,9-10,13-14H,5-8,11-12H2,1H3;2*1-3,8-9,15H,4-7,10-11H2/t;;2*15-/m..10/s1
InChIKeyNENJNOBVIDWLBB-OSGJGRGGSA-N
MW1417.49 g/mol
LogP10.83
Rot. Bonds20

About 2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 159758114) has the molecular formula C73H79F7N12O10 and a molecular weight of 1417.49 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID159758114
Molecular FormulaC73H79F7N12O10
Molecular Weight1417.49 g/mol
Exact Mass1416.59
IUPAC Name2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC1(C(F)(F)F)CC(CN2CCn3nc(COc4cccc(F)c4)cc3C2=O)C1.CC1CC(CN2CCn3nc(COc4cccc(F)c4)cc3C2=O)C1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@@H]1CCO1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@H]1CCO1
InChIInChI=1S/C20H21F4N3O2.C19H22FN3O2.2C17H18FN3O3/c1-19(20(22,23)24)9-13(10-19)11-26-5-6-27-17(18(26)28)8-15(25-27)12-29-16-4-2-3-14(21)7-16;1-13-7-14(8-13)11-22-5-6-23-18(19(22)24)10-16(21-23)12-25-17-4-2-3-15(20)9-17;2*18-12-2-1-3-14(8-12)24-11-13-9-16-17(22)20(5-6-21(16)19-13)10-15-4-7-23-15/h2-4,7-8,13H,5-6,9-12H2,1H3;2-4,9-10,13-14H,5-8,11-12H2,1H3;2*1-3,8-9,15H,4-7,10-11H2/t;;2*15-/m..10/s1
InChIKeyNENJNOBVIDWLBB-OSGJGRGGSA-N
XLogP10.83
TPSA207.90 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001417.49
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

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Related Compounds

5-Cyclobutyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 145688070
5-[(1S)-1-cyclobutyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclobutyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1R)-2,2-difluorocyclobutyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S)-2,2-difluorocyclobutyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1R)-2-fluorocyclobutyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S)-2-fluorocyclobutyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylcyclobutyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[[1-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157433058
CID 157552323
CID 157552323
bis(5-(3,3-dimethylcyclobutyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);2-[(3-fluorophenoxy)methyl]-5-[(3R)-3-hydroxy-3-methylcyclopentyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-3-hydroxy-3-(trifluoromethyl)cyclopentyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;tetrakis(2-[(3-fluorophenoxy)methyl]-5-(3-methylcyclobutyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one)
CID 157570974
5-cyclobutyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluorocyclohexyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-dimethylcyclobutyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3-methylcyclobutyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(1-methylpiperidin-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3S)-1-methylpiperidin-3-yl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3R)-1-methylpiperidin-3-yl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158130316
5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenyl)methoxy]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one;2-[(4-fluorophenyl)methoxy]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one;7-methyl-2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one;2-phenylmethoxy-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 158562123
5-(cyclobutylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S)-2-fluorocyclobutyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylcyclobutyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(2R)-oxetan-2-yl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(2S)-oxetan-2-yl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[[(2R)-2-(trifluoromethyl)oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[[(2S)-2-(trifluoromethyl)oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158706003
5-[[(1R)-2,2-difluorocyclobutyl]methyl]-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S)-2,2-difluorocyclobutyl]methyl]-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1R)-2-fluorocyclobutyl]methyl]-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S)-2-fluorocyclobutyl]methyl]-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-fluoro-4-methyloxetan-2-yl)methyl]-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(4-methyloxetan-2-yl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-2-(trifluoromethyl)oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-2-(trifluoromethyl)oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158749118
5-[(1S)-1-cyclobutyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclobutyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1R)-2,2-difluorocyclobutyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S)-2,2-difluorocyclobutyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1R)-2-fluorocyclobutyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-fluoro-4-methyloxetan-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methyloxetan-2-yl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-(phenoxymethyl)-5-[(1R)-2,2,2-trifluoro-1-(oxetan-2-yl)ethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 159120493
tris(5-cyclohexyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-(2,2-difluorocyclohexyl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(3,3-difluoro-1-methylpiperidin-4-yl)-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-(1-methylpiperidin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3S)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[(3R)-1-methylpiperidin-3-yl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 159879971
5-[(1S)-1-cyclobutyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1R)-2-methylcyclobutyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S)-2-methylcyclobutyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1R,2R)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 160005834
5-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(1-fluorocyclopropyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S,2S)-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 161088527

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 159758114) is 2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC1(C(F)(F)F)CC(CN2CCn3nc(COc4cccc(F)c4)cc3C2=O)C1.CC1CC(CN2CCn3nc(COc4cccc(F)c4)cc3C2=O)C1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@@H]1CCO1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@H]1CCO1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is NENJNOBVIDWLBB-OSGJGRGGSA-N. The full InChI is InChI=1S/C20H21F4N3O2.C19H22FN3O2.2C17H18FN3O3/c1-19(20(22,23)24)9-13(10-19)11-26-5-6-27-17(18(26)28)8-15(25-27)12-29-16-4-2-3-14(21)7-16;1-13-7-14(8-13)11-22-5-6-23-18(19(22)24)10-16(21-23)12-25-17-4-2-3-15(20)9-17;2*18-12-2-1-3-14(8-12)24-11-13-9-16-17(22)20(5-6-21(16)19-13)10-15-4-7-23-15/h2-4,7-8,13H,5-6,9-12H2,1H3;2-4,9-10,13-14H,5-8,11-12H2,1H3;2*1-3,8-9,15H,4-7,10-11H2/t;;2*15-/m..10/s1.
What are the key properties of 2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 1417.49 g/mol, XLogP of 10.83, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-5-[(3-methylcyclobutyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[3-methyl-3-(trifluoromethyl)cyclobutyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2R)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(3-fluorophenoxy)methyl]-5-[[(2S)-oxetan-2-yl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 159758114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).