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

C146H157F15N24O19 — CID 159120493

IUPAC5-[(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
SMILESCC1(F)CC(CN2CCn3nc(COc4ccccc4)cc3C2=O)O1.CC1CC(CN2CCn3nc(COc4ccccc4)cc3C2=O)O1.O=C1c2cc(COc3ccccc3)nn2CCN1C[C@@H]1CCC1(F)F.O=C1c2cc(COc3ccccc3)nn2CCN1C[C@H]1CCC1(F)F.O=C1c2cc(COc3ccccc3)nn2CCN1C[C@H]1CCC1F.O=C1c2cc(COc3ccccc3)nn2CCN1[C@@H](C1CCC1)C(F)(F)F.O=C1c2cc(COc3ccccc3)nn2CCN1[C@H](C1CCC1)C(F)(F)F.O=C1c2cc(COc3ccccc3)nn2CCN1[C@H](C1CCO1)C(F)(F)F
InChIInChI=1S/2C19H20F3N3O2.C18H18F3N3O3.2C18H19F2N3O2.C18H20FN3O3.C18H20FN3O2.C18H21N3O3/c2*20-19(21,22)17(13-5-4-6-13)24-9-10-25-16(18(24)26)11-14(23-25)12-27-15-7-2-1-3-8-15;19-18(20,21)16(15-6-9-26-15)23-7-8-24-14(17(23)25)10-12(22-24)11-27-13-4-2-1-3-5-13;2*19-18(20)7-6-13(18)11-22-8-9-23-16(17(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15;1-18(19)10-15(25-18)11-21-7-8-22-16(17(21)23)9-13(20-22)12-24-14-5-3-2-4-6-14;19-16-7-6-13(16)11-21-8-9-22-17(18(21)23)10-14(20-22)12-24-15-4-2-1-3-5-15;1-13-9-16(24-13)11-20-7-8-21-17(18(20)22)10-14(19-21)12-23-15-5-3-2-4-6-15/h2*1-3,7-8,11,13,17H,4-6,9-10,12H2;1-5,10,15-16H,6-9,11H2;2*1-5,10,13H,6-9,11-12H2;2-6,9,15H,7-8,10-12H2,1H3;1-5,10,13,16H,6-9,11-12H2;2-6,10,13,16H,7-9,11-12H2,1H3/t2*17-;15?,16-;2*13-;;13-,16?;/m10110.1./s1
InChIKeyKFQFNGHTALVIMD-FUBMCQSVSA-N
MW2836.98 g/mol
LogP23.02
Rot. Bonds40

About 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

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 (PubChem CID 159120493) has the molecular formula C146H157F15N24O19 and a molecular weight of 2836.98 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(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
PubChem CID159120493
Molecular FormulaC146H157F15N24O19
Molecular Weight2836.98 g/mol
Exact Mass2835.18
IUPAC Name5-[(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
SMILESCC1(F)CC(CN2CCn3nc(COc4ccccc4)cc3C2=O)O1.CC1CC(CN2CCn3nc(COc4ccccc4)cc3C2=O)O1.O=C1c2cc(COc3ccccc3)nn2CCN1C[C@@H]1CCC1(F)F.O=C1c2cc(COc3ccccc3)nn2CCN1C[C@H]1CCC1(F)F.O=C1c2cc(COc3ccccc3)nn2CCN1C[C@H]1CCC1F.O=C1c2cc(COc3ccccc3)nn2CCN1[C@@H](C1CCC1)C(F)(F)F.O=C1c2cc(COc3ccccc3)nn2CCN1[C@H](C1CCC1)C(F)(F)F.O=C1c2cc(COc3ccccc3)nn2CCN1[C@H](C1CCO1)C(F)(F)F
InChIInChI=1S/2C19H20F3N3O2.C18H18F3N3O3.2C18H19F2N3O2.C18H20FN3O3.C18H20FN3O2.C18H21N3O3/c2*20-19(21,22)17(13-5-4-6-13)24-9-10-25-16(18(24)26)11-14(23-25)12-27-15-7-2-1-3-8-15;19-18(20,21)16(15-6-9-26-15)23-7-8-24-14(17(23)25)10-12(22-24)11-27-13-4-2-1-3-5-13;2*19-18(20)7-6-13(18)11-22-8-9-23-16(17(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15;1-18(19)10-15(25-18)11-21-7-8-22-16(17(21)23)9-13(20-22)12-24-14-5-3-2-4-6-14;19-16-7-6-13(16)11-21-8-9-22-17(18(21)23)10-14(20-22)12-24-15-4-2-1-3-5-15;1-13-9-16(24-13)11-20-7-8-21-17(18(20)22)10-14(19-21)12-23-15-5-3-2-4-6-15/h2*1-3,7-8,11,13,17H,4-6,9-10,12H2;1-5,10,15-16H,6-9,11H2;2*1-5,10,13H,6-9,11-12H2;2-6,9,15H,7-8,10-12H2,1H3;1-5,10,13,16H,6-9,11-12H2;2-6,10,13,16H,7-9,11-12H2,1H3/t2*17-;15?,16-;2*13-;;13-,16?;/m10110.1./s1
InChIKeyKFQFNGHTALVIMD-FUBMCQSVSA-N
XLogP23.02
TPSA406.57 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds40
Heavy Atoms204
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002836.98
LogP ≤ 523.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 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 with MolForge

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

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(F)CC(CN2CCn3nc(COc4ccccc4)cc3C2=O)O1.CC1CC(CN2CCn3nc(COc4ccccc4)cc3C2=O)O1.O=C1c2cc(COc3ccccc3)nn2CCN1C[C@@H]1CCC1(F)F.O=C1c2cc(COc3ccccc3)nn2CCN1C[C@H]1CCC1(F)F.O=C1c2cc(COc3ccccc3)nn2CCN1C[C@H]1CCC1F.O=C1c2cc(COc3ccccc3)nn2CCN1[C@@H](C1CCC1)C(F)(F)F.O=C1c2cc(COc3ccccc3)nn2CCN1[C@H](C1CCC1)C(F)(F)F.O=C1c2cc(COc3ccccc3)nn2CCN1[C@H](C1CCO1)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is KFQFNGHTALVIMD-FUBMCQSVSA-N. The full InChI is InChI=1S/2C19H20F3N3O2.C18H18F3N3O3.2C18H19F2N3O2.C18H20FN3O3.C18H20FN3O2.C18H21N3O3/c2*20-19(21,22)17(13-5-4-6-13)24-9-10-25-16(18(24)26)11-14(23-25)12-27-15-7-2-1-3-8-15;19-18(20,21)16(15-6-9-26-15)23-7-8-24-14(17(23)25)10-12(22-24)11-27-13-4-2-1-3-5-13;2*19-18(20)7-6-13(18)11-22-8-9-23-16(17(22)24)10-14(21-23)12-25-15-4-2-1-3-5-15;1-18(19)10-15(25-18)11-21-7-8-22-16(17(21)23)9-13(20-22)12-24-14-5-3-2-4-6-14;19-16-7-6-13(16)11-21-8-9-22-17(18(21)23)10-14(20-22)12-24-15-4-2-1-3-5-15;1-13-9-16(24-13)11-20-7-8-21-17(18(20)22)10-14(19-21)12-23-15-5-3-2-4-6-15/h2*1-3,7-8,11,13,17H,4-6,9-10,12H2;1-5,10,15-16H,6-9,11H2;2*1-5,10,13H,6-9,11-12H2;2-6,9,15H,7-8,10-12H2,1H3;1-5,10,13,16H,6-9,11-12H2;2-6,10,13,16H,7-9,11-12H2,1H3/t2*17-;15?,16-;2*13-;;13-,16?;/m10110.1./s1.
What are the key properties of 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?
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 has a molecular weight of 2836.98 g/mol, XLogP of 23.02, 40 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159120493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).