[3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone

C170H170F6N26O17 — CID 159467803

IUPAC[3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone
SMILESC.COc1c(COc2ccccc2)nn2c1CN(C(=O)c1ccc(C)cc1)CC2.Cc1ccc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)cc1F.Cc1ccc(C(=O)N2CCn3nc(COc4ccccc4)c(C)c3C2)cc1.Cc1ccc(C(=O)N2CCn3nc(COc4ccccc4)c(N)c3C2)cc1.Cc1ccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)cc1F.Cc1ccc(C(=O)N2Cc3cc(COc4ccccc4)nn3CC2C)cc1.Cc1cccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)c1F.O=C(c1ncccc1F)N1CCn2nc(COc3cccc(F)c3)cc2C1
InChIInChI=1S/C22H23N3O3.2C22H23N3O2.C21H19F2N3O2.2C21H20FN3O2.C21H22N4O2.C19H16F2N4O2.CH4/c1-16-8-10-17(11-9-16)22(26)24-12-13-25-20(14-24)21(27-2)19(23-25)15-28-18-6-4-3-5-7-18;1-16-8-10-18(11-9-16)22(26)24-14-20-12-19(23-25(20)13-17(24)2)15-27-21-6-4-3-5-7-21;1-16-8-10-18(11-9-16)22(26)24-12-13-25-21(14-24)17(2)20(23-25)15-27-19-6-4-3-5-7-19;1-14-5-6-15(9-20(14)23)21(27)25-7-8-26-18(12-25)11-17(24-26)13-28-19-4-2-3-16(22)10-19;1-15-6-5-9-19(20(15)22)21(26)24-10-11-25-17(13-24)12-16(23-25)14-27-18-7-3-2-4-8-18;1-15-7-8-16(11-20(15)22)21(26)24-9-10-25-18(13-24)12-17(23-25)14-27-19-5-3-2-4-6-19;1-15-7-9-16(10-8-15)21(26)24-11-12-25-19(13-24)20(22)18(23-25)14-27-17-5-3-2-4-6-17;20-13-3-1-4-16(9-13)27-12-14-10-15-11-24(7-8-25(15)23-14)19(26)18-17(21)5-2-6-22-18;/h3-11H,12-15H2,1-2H3;3-12,17H,13-15H2,1-2H3;3-11H,12-15H2,1-2H3;2-6,9-11H,7-8,12-13H2,1H3;2-9,12H,10-11,13-14H2,1H3;2-8,11-12H,9-10,13-14H2,1H3;2-10H,11-14,22H2,1H3;1-6,9-10H,7-8,11-12H2;1H4
InChIKeyLVKIZIXVMVPDIB-UHFFFAOYSA-N
MW2963.38 g/mol
LogP28.26
Rot. Bonds33

About [3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone

[3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone (PubChem CID 159467803) has the molecular formula C170H170F6N26O17 and a molecular weight of 2963.38 g/mol. Its IUPAC name is [3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone
PubChem CID159467803
Molecular FormulaC170H170F6N26O17
Molecular Weight2963.38 g/mol
Exact Mass2961.31
IUPAC Name[3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone
SMILESC.COc1c(COc2ccccc2)nn2c1CN(C(=O)c1ccc(C)cc1)CC2.Cc1ccc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)cc1F.Cc1ccc(C(=O)N2CCn3nc(COc4ccccc4)c(C)c3C2)cc1.Cc1ccc(C(=O)N2CCn3nc(COc4ccccc4)c(N)c3C2)cc1.Cc1ccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)cc1F.Cc1ccc(C(=O)N2Cc3cc(COc4ccccc4)nn3CC2C)cc1.Cc1cccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)c1F.O=C(c1ncccc1F)N1CCn2nc(COc3cccc(F)c3)cc2C1
InChIInChI=1S/C22H23N3O3.2C22H23N3O2.C21H19F2N3O2.2C21H20FN3O2.C21H22N4O2.C19H16F2N4O2.CH4/c1-16-8-10-17(11-9-16)22(26)24-12-13-25-20(14-24)21(27-2)19(23-25)15-28-18-6-4-3-5-7-18;1-16-8-10-18(11-9-16)22(26)24-14-20-12-19(23-25(20)13-17(24)2)15-27-21-6-4-3-5-7-21;1-16-8-10-18(11-9-16)22(26)24-12-13-25-21(14-24)17(2)20(23-25)15-27-19-6-4-3-5-7-19;1-14-5-6-15(9-20(14)23)21(27)25-7-8-26-18(12-25)11-17(24-26)13-28-19-4-2-3-16(22)10-19;1-15-6-5-9-19(20(15)22)21(26)24-10-11-25-17(13-24)12-16(23-25)14-27-18-7-3-2-4-8-18;1-15-7-8-16(11-20(15)22)21(26)24-9-10-25-18(13-24)12-17(23-25)14-27-19-5-3-2-4-6-19;1-15-7-9-16(10-8-15)21(26)24-11-12-25-19(13-24)20(22)18(23-25)14-27-17-5-3-2-4-6-17;20-13-3-1-4-16(9-13)27-12-14-10-15-11-24(7-8-25(15)23-14)19(26)18-17(21)5-2-6-22-18;/h3-11H,12-15H2,1-2H3;3-12,17H,13-15H2,1-2H3;3-11H,12-15H2,1-2H3;2-6,9-11H,7-8,12-13H2,1H3;2-9,12H,10-11,13-14H2,1H3;2-8,11-12H,9-10,13-14H2,1H3;2-10H,11-14,22H2,1H3;1-6,9-10H,7-8,11-12H2;1H4
InChIKeyLVKIZIXVMVPDIB-UHFFFAOYSA-N
XLogP28.26
TPSA427.02 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds33
Heavy Atoms219
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002963.38
LogP ≤ 528.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Analyze [3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone?
The IUPAC name of [3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone (CID 159467803) is [3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone is C.COc1c(COc2ccccc2)nn2c1CN(C(=O)c1ccc(C)cc1)CC2.Cc1ccc(C(=O)N2CCn3nc(COc4cccc(F)c4)cc3C2)cc1F.Cc1ccc(C(=O)N2CCn3nc(COc4ccccc4)c(C)c3C2)cc1.Cc1ccc(C(=O)N2CCn3nc(COc4ccccc4)c(N)c3C2)cc1.Cc1ccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)cc1F.Cc1ccc(C(=O)N2Cc3cc(COc4ccccc4)nn3CC2C)cc1.Cc1cccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2)c1F.O=C(c1ncccc1F)N1CCn2nc(COc3cccc(F)c3)cc2C1.
What is the InChIKey of [3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone?
The InChIKey is LVKIZIXVMVPDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3.2C22H23N3O2.C21H19F2N3O2.2C21H20FN3O2.C21H22N4O2.C19H16F2N4O2.CH4/c1-16-8-10-17(11-9-16)22(26)24-12-13-25-20(14-24)21(27-2)19(23-25)15-28-18-6-4-3-5-7-18;1-16-8-10-18(11-9-16)22(26)24-14-20-12-19(23-25(20)13-17(24)2)15-27-21-6-4-3-5-7-21;1-16-8-10-18(11-9-16)22(26)24-12-13-25-21(14-24)17(2)20(23-25)15-27-19-6-4-3-5-7-19;1-14-5-6-15(9-20(14)23)21(27)25-7-8-26-18(12-25)11-17(24-26)13-28-19-4-2-3-16(22)10-19;1-15-6-5-9-19(20(15)22)21(26)24-10-11-25-17(13-24)12-16(23-25)14-27-18-7-3-2-4-8-18;1-15-7-8-16(11-20(15)22)21(26)24-9-10-25-18(13-24)12-17(23-25)14-27-19-5-3-2-4-6-19;1-15-7-9-16(10-8-15)21(26)24-11-12-25-19(13-24)20(22)18(23-25)14-27-17-5-3-2-4-6-17;20-13-3-1-4-16(9-13)27-12-14-10-15-11-24(7-8-25(15)23-14)19(26)18-17(21)5-2-6-22-18;/h3-11H,12-15H2,1-2H3;3-12,17H,13-15H2,1-2H3;3-11H,12-15H2,1-2H3;2-6,9-11H,7-8,12-13H2,1H3;2-9,12H,10-11,13-14H2,1H3;2-8,11-12H,9-10,13-14H2,1H3;2-10H,11-14,22H2,1H3;1-6,9-10H,7-8,11-12H2;1H4.
What are the key properties of [3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone?
[3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone has a molecular weight of 2963.38 g/mol, XLogP of 28.26, 33 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;(3-fluoro-4-methylphenyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-fluoro-3-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(3-fluoro-4-methylphenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-fluoro-2-pyridinyl)methanone;methane;[3-methoxy-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[3-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 159467803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).