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

C171H202F3N27O18 — CID 161192267

IUPAC5-[(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
SMILESCC1(C)CCN(CC2CC2)C(=O)c2cc(COc3ccccc3)nn21.CC1(F)CC1CN1CCCn2nc(COc3ccccc3)cc2C1=O.CC1(F)C[C@@H]1CN1CCn2nc(COc3cccc(F)c3)cc2C1=O.CC1CCN(CC2CC2)C(=O)c2cc(COc3ccccc3)nn21.CC1CN(CC2CC2)C(=O)c2cc(COc3ccccc3)nn2C1.O=C1c2cc(COc3ccccc3)nn2CCN1C1CCCC1.O=C1c2cc(COc3ccccc3)nn2CCN1C1CCCCC1.O=C1c2cc(COc3ccccc3)nn2CCN1C1CCCCC1.O=C1c2cc(COc3ccccc3)nn2CCN1[C@@H]1CC2CCC1C2
InChIInChI=1S/C20H23N3O2.C20H25N3O2.C19H22FN3O2.4C19H23N3O2.C18H19F2N3O2.C18H21N3O2/c24-20-19-12-16(13-25-17-4-2-1-3-5-17)21-23(19)9-8-22(20)18-11-14-6-7-15(18)10-14;1-20(2)10-11-22(13-15-8-9-15)19(24)18-12-16(21-23(18)20)14-25-17-6-4-3-5-7-17;1-19(20)11-14(19)12-22-8-5-9-23-17(18(22)24)10-15(21-23)13-25-16-6-3-2-4-7-16;1-14-10-21(12-15-7-8-15)19(23)18-9-16(20-22(18)11-14)13-24-17-5-3-2-4-6-17;1-14-9-10-21(12-15-7-8-15)19(23)18-11-16(20-22(14)18)13-24-17-5-3-2-4-6-17;2*23-19-18-13-15(14-24-17-9-5-2-6-10-17)20-22(18)12-11-21(19)16-7-3-1-4-8-16;1-18(20)9-12(18)10-22-5-6-23-16(17(22)24)8-14(21-23)11-25-15-4-2-3-13(19)7-15;22-18-17-12-14(13-23-16-8-2-1-3-9-16)19-21(17)11-10-20(18)15-6-4-5-7-15/h1-5,12,14-15,18H,6-11,13H2;3-7,12,15H,8-11,13-14H2,1-2H3;2-4,6-7,10,14H,5,8-9,11-13H2,1H3;2-6,9,14-15H,7-8,10-13H2,1H3;2-6,11,14-15H,7-10,12-13H2,1H3;2*2,5-6,9-10,13,16H,1,3-4,7-8,11-12,14H2;2-4,7-8,12H,5-6,9-11H2,1H3;1-3,8-9,12,15H,4-7,10-11,13H2/t14?,15?,18-;;;;;;;12-,18?;/m1......1./s1
InChIKeyUTWMVCKSGPRUPT-AGDBEDSISA-N
MW2980.66 g/mol
LogP28.03
Rot. Bonds41

About 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

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 (PubChem CID 161192267) has the molecular formula C171H202F3N27O18 and a molecular weight of 2980.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[(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
PubChem CID161192267
Molecular FormulaC171H202F3N27O18
Molecular Weight2980.66 g/mol
Exact Mass2978.57
IUPAC Name5-[(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
SMILESCC1(C)CCN(CC2CC2)C(=O)c2cc(COc3ccccc3)nn21.CC1(F)CC1CN1CCCn2nc(COc3ccccc3)cc2C1=O.CC1(F)C[C@@H]1CN1CCn2nc(COc3cccc(F)c3)cc2C1=O.CC1CCN(CC2CC2)C(=O)c2cc(COc3ccccc3)nn21.CC1CN(CC2CC2)C(=O)c2cc(COc3ccccc3)nn2C1.O=C1c2cc(COc3ccccc3)nn2CCN1C1CCCC1.O=C1c2cc(COc3ccccc3)nn2CCN1C1CCCCC1.O=C1c2cc(COc3ccccc3)nn2CCN1C1CCCCC1.O=C1c2cc(COc3ccccc3)nn2CCN1[C@@H]1CC2CCC1C2
InChIInChI=1S/C20H23N3O2.C20H25N3O2.C19H22FN3O2.4C19H23N3O2.C18H19F2N3O2.C18H21N3O2/c24-20-19-12-16(13-25-17-4-2-1-3-5-17)21-23(19)9-8-22(20)18-11-14-6-7-15(18)10-14;1-20(2)10-11-22(13-15-8-9-15)19(24)18-12-16(21-23(18)20)14-25-17-6-4-3-5-7-17;1-19(20)11-14(19)12-22-8-5-9-23-17(18(22)24)10-15(21-23)13-25-16-6-3-2-4-7-16;1-14-10-21(12-15-7-8-15)19(23)18-9-16(20-22(18)11-14)13-24-17-5-3-2-4-6-17;1-14-9-10-21(12-15-7-8-15)19(23)18-11-16(20-22(14)18)13-24-17-5-3-2-4-6-17;2*23-19-18-13-15(14-24-17-9-5-2-6-10-17)20-22(18)12-11-21(19)16-7-3-1-4-8-16;1-18(20)9-12(18)10-22-5-6-23-16(17(22)24)8-14(21-23)11-25-15-4-2-3-13(19)7-15;22-18-17-12-14(13-23-16-8-2-1-3-9-16)19-21(17)11-10-20(18)15-6-4-5-7-15/h1-5,12,14-15,18H,6-11,13H2;3-7,12,15H,8-11,13-14H2,1-2H3;2-4,6-7,10,14H,5,8-9,11-13H2,1H3;2-6,9,14-15H,7-8,10-13H2,1H3;2-6,11,14-15H,7-10,12-13H2,1H3;2*2,5-6,9-10,13,16H,1,3-4,7-8,11-12,14H2;2-4,7-8,12H,5-6,9-11H2,1H3;1-3,8-9,12,15H,4-7,10-11,13H2/t14?,15?,18-;;;;;;;12-,18?;/m1......1./s1
InChIKeyUTWMVCKSGPRUPT-AGDBEDSISA-N
XLogP28.03
TPSA426.24 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds41
Heavy Atoms219
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002980.66
LogP ≤ 528.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

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Related Compounds

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-[(2-fluoro-2-methylcyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 157055503
5-cyclopentyl-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 162185434
5-[(2,2-difluorocyclopropyl)methyl]-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 72703189
5-[(4,4-difluorooxetan-2-yl)methyl]-2-[(3-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123733966
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-(oxan-4-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 72703406
5-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123625077
(7S)-5-(5-fluoro-2-pyridinyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123378023
5-[(2,3-difluorophenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 123551618

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCN(CC2CC2)C(=O)c2cc(COc3ccccc3)nn21.CC1(F)CC1CN1CCCn2nc(COc3ccccc3)cc2C1=O.CC1(F)C[C@@H]1CN1CCn2nc(COc3cccc(F)c3)cc2C1=O.CC1CCN(CC2CC2)C(=O)c2cc(COc3ccccc3)nn21.CC1CN(CC2CC2)C(=O)c2cc(COc3ccccc3)nn2C1.O=C1c2cc(COc3ccccc3)nn2CCN1C1CCCC1.O=C1c2cc(COc3ccccc3)nn2CCN1C1CCCCC1.O=C1c2cc(COc3ccccc3)nn2CCN1C1CCCCC1.O=C1c2cc(COc3ccccc3)nn2CCN1[C@@H]1CC2CCC1C2.
What is the InChIKey of 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?
The InChIKey is UTWMVCKSGPRUPT-AGDBEDSISA-N. The full InChI is InChI=1S/C20H23N3O2.C20H25N3O2.C19H22FN3O2.4C19H23N3O2.C18H19F2N3O2.C18H21N3O2/c24-20-19-12-16(13-25-17-4-2-1-3-5-17)21-23(19)9-8-22(20)18-11-14-6-7-15(18)10-14;1-20(2)10-11-22(13-15-8-9-15)19(24)18-12-16(21-23(18)20)14-25-17-6-4-3-5-7-17;1-19(20)11-14(19)12-22-8-5-9-23-17(18(22)24)10-15(21-23)13-25-16-6-3-2-4-7-16;1-14-10-21(12-15-7-8-15)19(23)18-9-16(20-22(18)11-14)13-24-17-5-3-2-4-6-17;1-14-9-10-21(12-15-7-8-15)19(23)18-11-16(20-22(14)18)13-24-17-5-3-2-4-6-17;2*23-19-18-13-15(14-24-17-9-5-2-6-10-17)20-22(18)12-11-21(19)16-7-3-1-4-8-16;1-18(20)9-12(18)10-22-5-6-23-16(17(22)24)8-14(21-23)11-25-15-4-2-3-13(19)7-15;22-18-17-12-14(13-23-16-8-2-1-3-9-16)19-21(17)11-10-20(18)15-6-4-5-7-15/h1-5,12,14-15,18H,6-11,13H2;3-7,12,15H,8-11,13-14H2,1-2H3;2-4,6-7,10,14H,5,8-9,11-13H2,1H3;2-6,9,14-15H,7-8,10-13H2,1H3;2-6,11,14-15H,7-10,12-13H2,1H3;2*2,5-6,9-10,13,16H,1,3-4,7-8,11-12,14H2;2-4,7-8,12H,5-6,9-11H2,1H3;1-3,8-9,12,15H,4-7,10-11,13H2/t14?,15?,18-;;;;;;;12-,18?;/m1......1./s1.
What are the key properties of 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?
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 has a molecular weight of 2980.66 g/mol, XLogP of 28.03, 41 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161192267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).