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

C144H147F21N24O20 — CID 158749118

IUPAC5-[[(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
SMILESCC1(F)CC(CN2CCn3nc(COc4cccc(F)c4)cc3C2=O)O1.CC1CC(CN2CCn3nc(COc4cccc(F)c4)cc3C2=O)O1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@@H]1CCC1(F)F.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@@H]1CCC1F.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@@]1(C(F)(F)F)CCO1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@H]1CCC1(F)F.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@H]1CCC1F.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@]1(C(F)(F)F)CCO1
InChIInChI=1S/2C18H17F4N3O3.2C18H18F3N3O2.C18H19F2N3O3.2C18H19F2N3O2.C18H20FN3O3/c2*19-12-2-1-3-14(8-12)27-10-13-9-15-16(26)24(5-6-25(15)23-13)11-17(4-7-28-17)18(20,21)22;2*19-13-2-1-3-15(8-13)26-11-14-9-16-17(25)23(6-7-24(16)22-14)10-12-4-5-18(12,20)21;1-18(20)9-15(26-18)10-22-5-6-23-16(17(22)24)8-13(21-23)11-25-14-4-2-3-12(19)7-14;2*19-13-2-1-3-15(8-13)25-11-14-9-17-18(24)22(6-7-23(17)21-14)10-12-4-5-16(12)20;1-12-7-16(25-12)10-21-5-6-22-17(18(21)23)9-14(20-22)11-24-15-4-2-3-13(19)8-15/h2*1-3,8-9H,4-7,10-11H2;2*1-3,8-9,12H,4-7,10-11H2;2-4,7-8,15H,5-6,9-11H2,1H3;2*1-3,8-9,12,16H,4-7,10-11H2;2-4,8-9,12,16H,5-7,10-11H2,1H3/t2*17-;2*12-;;2*12-,16?;/m1010.10./s1
InChIKeyINGBNULEKCJRIZ-PVYWODPQSA-N
MW2932.87 g/mol
LogP22.14
Rot. Bonds40

About 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

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 (PubChem CID 158749118) has the molecular formula C144H147F21N24O20 and a molecular weight of 2932.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[(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
PubChem CID158749118
Molecular FormulaC144H147F21N24O20
Molecular Weight2932.87 g/mol
Exact Mass2931.09
IUPAC Name5-[[(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
SMILESCC1(F)CC(CN2CCn3nc(COc4cccc(F)c4)cc3C2=O)O1.CC1CC(CN2CCn3nc(COc4cccc(F)c4)cc3C2=O)O1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@@H]1CCC1(F)F.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@@H]1CCC1F.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@@]1(C(F)(F)F)CCO1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@H]1CCC1(F)F.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@H]1CCC1F.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@]1(C(F)(F)F)CCO1
InChIInChI=1S/2C18H17F4N3O3.2C18H18F3N3O2.C18H19F2N3O3.2C18H19F2N3O2.C18H20FN3O3/c2*19-12-2-1-3-14(8-12)27-10-13-9-15-16(26)24(5-6-25(15)23-13)11-17(4-7-28-17)18(20,21)22;2*19-13-2-1-3-15(8-13)26-11-14-9-16-17(25)23(6-7-24(16)22-14)10-12-4-5-18(12,20)21;1-18(20)9-15(26-18)10-22-5-6-23-16(17(22)24)8-13(21-23)11-25-14-4-2-3-12(19)7-14;2*19-13-2-1-3-15(8-13)25-11-14-9-17-18(24)22(6-7-23(17)21-14)10-12-4-5-16(12)20;1-12-7-16(25-12)10-21-5-6-22-17(18(21)23)9-14(20-22)11-24-15-4-2-3-13(19)8-15/h2*1-3,8-9H,4-7,10-11H2;2*1-3,8-9,12H,4-7,10-11H2;2-4,7-8,15H,5-6,9-11H2,1H3;2*1-3,8-9,12,16H,4-7,10-11H2;2-4,8-9,12,16H,5-7,10-11H2,1H3/t2*17-;2*12-;;2*12-,16?;/m1010.10./s1
InChIKeyINGBNULEKCJRIZ-PVYWODPQSA-N
XLogP22.14
TPSA415.80 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds40
Heavy Atoms209
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002932.87
LogP ≤ 522.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(F)CC(CN2CCn3nc(COc4cccc(F)c4)cc3C2=O)O1.CC1CC(CN2CCn3nc(COc4cccc(F)c4)cc3C2=O)O1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@@H]1CCC1(F)F.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@@H]1CCC1F.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@@]1(C(F)(F)F)CCO1.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@H]1CCC1(F)F.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@H]1CCC1F.O=C1c2cc(COc3cccc(F)c3)nn2CCN1C[C@]1(C(F)(F)F)CCO1.
What is the InChIKey of 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?
The InChIKey is INGBNULEKCJRIZ-PVYWODPQSA-N. The full InChI is InChI=1S/2C18H17F4N3O3.2C18H18F3N3O2.C18H19F2N3O3.2C18H19F2N3O2.C18H20FN3O3/c2*19-12-2-1-3-14(8-12)27-10-13-9-15-16(26)24(5-6-25(15)23-13)11-17(4-7-28-17)18(20,21)22;2*19-13-2-1-3-15(8-13)26-11-14-9-16-17(25)23(6-7-24(16)22-14)10-12-4-5-18(12,20)21;1-18(20)9-15(26-18)10-22-5-6-23-16(17(22)24)8-13(21-23)11-25-14-4-2-3-12(19)7-14;2*19-13-2-1-3-15(8-13)25-11-14-9-17-18(24)22(6-7-23(17)21-14)10-12-4-5-16(12)20;1-12-7-16(25-12)10-21-5-6-22-17(18(21)23)9-14(20-22)11-24-15-4-2-3-13(19)8-15/h2*1-3,8-9H,4-7,10-11H2;2*1-3,8-9,12H,4-7,10-11H2;2-4,7-8,15H,5-6,9-11H2,1H3;2*1-3,8-9,12,16H,4-7,10-11H2;2-4,8-9,12,16H,5-7,10-11H2,1H3/t2*17-;2*12-;;2*12-,16?;/m1010.10./s1.
What are the key properties of 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?
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 has a molecular weight of 2932.87 g/mol, XLogP of 22.14, 40 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158749118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).