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

C149H178F4N28O16 — CID 158130316

IUPAC5-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
SMILESCC1(C)CC(N2CCn3nc(COc4ccccc4)cc3C2=O)C1.CC1CC(N2CCn3nc(COc4ccccc4)cc3C2=O)C1.CN1CCC(N2CCn3nc(COc4ccccc4)cc3C2=O)C(F)(F)C1.CN1CCC(N2CCn3nc(COc4ccccc4)cc3C2=O)CC1.CN1CCC[C@@H](N2CCn3nc(COc4ccccc4)cc3C2=O)C1.CN1CCC[C@H](N2CCn3nc(COc4ccccc4)cc3C2=O)C1.O=C1c2cc(COc3ccccc3)nn2CCN1C1CCC1.O=C1c2cc(COc3ccccc3)nn2CCN1C1CCCCC1(F)F
InChIInChI=1S/C19H22F2N4O2.C19H21F2N3O2.3C19H24N4O2.C19H23N3O2.C18H21N3O2.C17H19N3O2/c1-23-8-7-17(19(20,21)13-23)24-9-10-25-16(18(24)26)11-14(22-25)12-27-15-5-3-2-4-6-15;20-19(21)9-5-4-8-17(19)23-10-11-24-16(18(23)25)12-14(22-24)13-26-15-6-2-1-3-7-15;2*1-21-9-5-6-16(13-21)22-10-11-23-18(19(22)24)12-15(20-23)14-25-17-7-3-2-4-8-17;1-21-9-7-16(8-10-21)22-11-12-23-18(19(22)24)13-15(20-23)14-25-17-5-3-2-4-6-17;1-19(2)11-15(12-19)21-8-9-22-17(18(21)23)10-14(20-22)13-24-16-6-4-3-5-7-16;1-13-9-15(10-13)20-7-8-21-17(18(20)22)11-14(19-21)12-23-16-5-3-2-4-6-16;21-17-16-11-13(12-22-15-7-2-1-3-8-15)18-20(16)10-9-19(17)14-5-4-6-14/h2-6,11,17H,7-10,12-13H2,1H3;1-3,6-7,12,17H,4-5,8-11,13H2;2*2-4,7-8,12,16H,5-6,9-11,13-14H2,1H3;2-6,13,16H,7-12,14H2,1H3;3-7,10,15H,8-9,11-13H2,1-2H3;2-6,11,13,15H,7-10,12H2,1H3;1-3,7-8,11,14H,4-6,9-10,12H2/t;;2*16-;;;;/m..10..../s1
InChIKeyFSRRFIOUIUPYLQ-DJJKGKAHSA-N
MW2693.23 g/mol
LogP20.08
Rot. Bonds32

About 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

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 (PubChem CID 158130316) has the molecular formula C149H178F4N28O16 and a molecular weight of 2693.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID158130316
Molecular FormulaC149H178F4N28O16
Molecular Weight2693.23 g/mol
Exact Mass2691.39
IUPAC Name5-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
SMILESCC1(C)CC(N2CCn3nc(COc4ccccc4)cc3C2=O)C1.CC1CC(N2CCn3nc(COc4ccccc4)cc3C2=O)C1.CN1CCC(N2CCn3nc(COc4ccccc4)cc3C2=O)C(F)(F)C1.CN1CCC(N2CCn3nc(COc4ccccc4)cc3C2=O)CC1.CN1CCC[C@@H](N2CCn3nc(COc4ccccc4)cc3C2=O)C1.CN1CCC[C@H](N2CCn3nc(COc4ccccc4)cc3C2=O)C1.O=C1c2cc(COc3ccccc3)nn2CCN1C1CCC1.O=C1c2cc(COc3ccccc3)nn2CCN1C1CCCCC1(F)F
InChIInChI=1S/C19H22F2N4O2.C19H21F2N3O2.3C19H24N4O2.C19H23N3O2.C18H21N3O2.C17H19N3O2/c1-23-8-7-17(19(20,21)13-23)24-9-10-25-16(18(24)26)11-14(22-25)12-27-15-5-3-2-4-6-15;20-19(21)9-5-4-8-17(19)23-10-11-24-16(18(23)25)12-14(22-24)13-26-15-6-2-1-3-7-15;2*1-21-9-5-6-16(13-21)22-10-11-23-18(19(22)24)12-15(20-23)14-25-17-7-3-2-4-8-17;1-21-9-7-16(8-10-21)22-11-12-23-18(19(22)24)13-15(20-23)14-25-17-5-3-2-4-6-17;1-19(2)11-15(12-19)21-8-9-22-17(18(21)23)10-14(20-22)13-24-16-6-4-3-5-7-16;1-13-9-15(10-13)20-7-8-21-17(18(20)22)11-14(19-21)12-23-16-5-3-2-4-6-16;21-17-16-11-13(12-22-15-7-2-1-3-8-15)18-20(16)10-9-19(17)14-5-4-6-14/h2-6,11,17H,7-10,12-13H2,1H3;1-3,6-7,12,17H,4-5,8-11,13H2;2*2-4,7-8,12,16H,5-6,9-11,13-14H2,1H3;2-6,13,16H,7-12,14H2,1H3;3-7,10,15H,8-9,11-13H2,1-2H3;2-6,11,13,15H,7-10,12H2,1H3;1-3,7-8,11,14H,4-6,9-10,12H2/t;;2*16-;;;;/m..10..../s1
InChIKeyFSRRFIOUIUPYLQ-DJJKGKAHSA-N
XLogP20.08
TPSA391.84 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002693.23
LogP ≤ 520.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

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Related Compounds

5-cyclopentyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 162185434
5-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 72703406
5-cyclohexyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-cyclopentyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-(phenoxymethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylcyclohexyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158554375
5-(cyclobutylmethyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-(cyclobutylmethyl)-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-cycloheptyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclohexylmethyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,3-dihydro-1H-inden-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4,4-dimethylcyclohexyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[[(1S)-2-fluoro-2-methylcyclopropyl]methyl]-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(4-methylcyclohexyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 158850894
5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-(phenoxymethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 158478677
5-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;bis(5-cyclohexyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one);5-cyclopentyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-8,8-dimethyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-7-methyl-2-(phenoxymethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-8-methyl-2-(phenoxymethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[[(1R)-2-fluoro-2-methylcyclopropyl]methyl]-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-(phenoxymethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 161192267
2-(phenoxymethyl)-5-[(1S)-1-phenylethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123597967
5-[(2-fluoro-2-methylcyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157055503
5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 72703189
5-[6-(dimethylamino)-5-fluoro-2-pyridinyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974517
5-(6-ethyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975619
5-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123625077

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CC(N2CCn3nc(COc4ccccc4)cc3C2=O)C1.CC1CC(N2CCn3nc(COc4ccccc4)cc3C2=O)C1.CN1CCC(N2CCn3nc(COc4ccccc4)cc3C2=O)C(F)(F)C1.CN1CCC(N2CCn3nc(COc4ccccc4)cc3C2=O)CC1.CN1CCC[C@@H](N2CCn3nc(COc4ccccc4)cc3C2=O)C1.CN1CCC[C@H](N2CCn3nc(COc4ccccc4)cc3C2=O)C1.O=C1c2cc(COc3ccccc3)nn2CCN1C1CCC1.O=C1c2cc(COc3ccccc3)nn2CCN1C1CCCCC1(F)F.
What is the InChIKey of 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?
The InChIKey is FSRRFIOUIUPYLQ-DJJKGKAHSA-N. The full InChI is InChI=1S/C19H22F2N4O2.C19H21F2N3O2.3C19H24N4O2.C19H23N3O2.C18H21N3O2.C17H19N3O2/c1-23-8-7-17(19(20,21)13-23)24-9-10-25-16(18(24)26)11-14(22-25)12-27-15-5-3-2-4-6-15;20-19(21)9-5-4-8-17(19)23-10-11-24-16(18(23)25)12-14(22-24)13-26-15-6-2-1-3-7-15;2*1-21-9-5-6-16(13-21)22-10-11-23-18(19(22)24)12-15(20-23)14-25-17-7-3-2-4-8-17;1-21-9-7-16(8-10-21)22-11-12-23-18(19(22)24)13-15(20-23)14-25-17-5-3-2-4-6-17;1-19(2)11-15(12-19)21-8-9-22-17(18(21)23)10-14(20-22)13-24-16-6-4-3-5-7-16;1-13-9-15(10-13)20-7-8-21-17(18(20)22)11-14(19-21)12-23-16-5-3-2-4-6-16;21-17-16-11-13(12-22-15-7-2-1-3-8-15)18-20(16)10-9-19(17)14-5-4-6-14/h2-6,11,17H,7-10,12-13H2,1H3;1-3,6-7,12,17H,4-5,8-11,13H2;2*2-4,7-8,12,16H,5-6,9-11,13-14H2,1H3;2-6,13,16H,7-12,14H2,1H3;3-7,10,15H,8-9,11-13H2,1-2H3;2-6,11,13,15H,7-10,12H2,1H3;1-3,7-8,11,14H,4-6,9-10,12H2/t;;2*16-;;;;/m..10..../s1.
What are the key properties of 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?
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 has a molecular weight of 2693.23 g/mol, XLogP of 20.08, 32 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158130316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).