1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione

C165H163FN28O24 — CID 159674559

IUPAC1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccn[nH]2)cc1N(C)C.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-n2cccn2)nc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-n2ccnc2)cc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(N2CCOC2=O)cc1.Cc1cc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cc2F)on1.Cc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-n1cccn1.Cc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-n1ccnc1
InChIInChI=1S/C25H27N5O3.C24H22FN3O4.2C24H24N4O3.C23H22N4O3.C23H23N3O5.C22H21N5O3/c1-17-16-29(24(32)18-7-5-4-6-8-18)13-14-30(17)25(33)23(31)20-10-9-19(15-22(20)28(2)3)21-11-12-26-27-21;1-15-12-21(32-26-15)19-9-8-18(13-20(19)25)22(29)24(31)28-11-10-27(14-16(28)2)23(30)17-6-4-3-5-7-17;1-17-15-20(9-10-21(17)28-12-6-11-25-28)22(29)24(31)27-14-13-26(16-18(27)2)23(30)19-7-4-3-5-8-19;1-17-14-20(8-9-21(17)27-11-10-25-16-27)22(29)24(31)28-13-12-26(15-18(28)2)23(30)19-6-4-3-5-7-19;1-17-15-25(22(29)19-5-3-2-4-6-19)13-14-27(17)23(30)21(28)18-7-9-20(10-8-18)26-12-11-24-16-26;1-16-15-24(21(28)18-5-3-2-4-6-18)11-12-25(16)22(29)20(27)17-7-9-19(10-8-17)26-13-14-31-23(26)30;1-16-15-25(21(29)17-6-3-2-4-7-17)12-13-26(16)22(30)20(28)18-8-9-19(23-14-18)27-11-5-10-24-27/h4-12,15,17H,13-14,16H2,1-3H3,(H,26,27);3-9,12-13,16H,10-11,14H2,1-2H3;3-12,15,18H,13-14,16H2,1-2H3;3-11,14,16,18H,12-13,15H2,1-2H3;2-12,16-17H,13-15H2,1H3;2-10,16H,11-15H2,1H3;2-11,14,16H,12-13,15H2,1H3/t17-;16-;2*18-;17-;2*16-/m1111111/s1
InChIKeyMUKVUEFVSVFQRT-DEBPYEQYSA-N
MW2941.29 g/mol
LogP17.97
Rot. Bonds29

About 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione

1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione (PubChem CID 159674559) has the molecular formula C165H163FN28O24 and a molecular weight of 2941.29 g/mol. Its IUPAC name is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione
PubChem CID159674559
Molecular FormulaC165H163FN28O24
Molecular Weight2941.29 g/mol
Exact Mass2939.24
IUPAC Name1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccn[nH]2)cc1N(C)C.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-n2cccn2)nc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-n2ccnc2)cc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(N2CCOC2=O)cc1.Cc1cc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cc2F)on1.Cc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-n1cccn1.Cc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-n1ccnc1
InChIInChI=1S/C25H27N5O3.C24H22FN3O4.2C24H24N4O3.C23H22N4O3.C23H23N3O5.C22H21N5O3/c1-17-16-29(24(32)18-7-5-4-6-8-18)13-14-30(17)25(33)23(31)20-10-9-19(15-22(20)28(2)3)21-11-12-26-27-21;1-15-12-21(32-26-15)19-9-8-18(13-20(19)25)22(29)24(31)28-11-10-27(14-16(28)2)23(30)17-6-4-3-5-7-17;1-17-15-20(9-10-21(17)28-12-6-11-25-28)22(29)24(31)27-14-13-26(16-18(27)2)23(30)19-7-4-3-5-8-19;1-17-14-20(8-9-21(17)27-11-10-25-16-27)22(29)24(31)28-13-12-26(15-18(28)2)23(30)19-6-4-3-5-7-19;1-17-15-25(22(29)19-5-3-2-4-6-19)13-14-27(17)23(30)21(28)18-7-9-20(10-8-18)26-12-11-24-16-26;1-16-15-24(21(28)18-5-3-2-4-6-18)11-12-25(16)22(29)20(27)17-7-9-19(10-8-17)26-13-14-31-23(26)30;1-16-15-25(21(29)17-6-3-2-4-7-17)12-13-26(16)22(30)20(28)18-8-9-19(23-14-18)27-11-5-10-24-27/h4-12,15,17H,13-14,16H2,1-3H3,(H,26,27);3-9,12-13,16H,10-11,14H2,1-2H3;3-12,15,18H,13-14,16H2,1-2H3;3-11,14,16,18H,12-13,15H2,1-2H3;2-12,16-17H,13-15H2,1H3;2-10,16H,11-15H2,1H3;2-11,14,16H,12-13,15H2,1H3/t17-;16-;2*18-;17-;2*16-/m1111111/s1
InChIKeyMUKVUEFVSVFQRT-DEBPYEQYSA-N
XLogP17.97
TPSA575.49 Ų
H-Bond Donors1
H-Bond Acceptors36
Rotatable Bonds29
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002941.29
LogP ≤ 517.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione?
The IUPAC name of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione (CID 159674559) is 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione.
What is the SMILES notation for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione?
The canonical SMILES for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione is C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccn[nH]2)cc1N(C)C.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-n2cccn2)nc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-n2ccnc2)cc1.C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(N2CCOC2=O)cc1.Cc1cc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cc2F)on1.Cc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-n1cccn1.Cc1cc(C(=O)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)ccc1-n1ccnc1.
What is the InChIKey of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione?
The InChIKey is MUKVUEFVSVFQRT-DEBPYEQYSA-N. The full InChI is InChI=1S/C25H27N5O3.C24H22FN3O4.2C24H24N4O3.C23H22N4O3.C23H23N3O5.C22H21N5O3/c1-17-16-29(24(32)18-7-5-4-6-8-18)13-14-30(17)25(33)23(31)20-10-9-19(15-22(20)28(2)3)21-11-12-26-27-21;1-15-12-21(32-26-15)19-9-8-18(13-20(19)25)22(29)24(31)28-11-10-27(14-16(28)2)23(30)17-6-4-3-5-7-17;1-17-15-20(9-10-21(17)28-12-6-11-25-28)22(29)24(31)27-14-13-26(16-18(27)2)23(30)19-7-4-3-5-8-19;1-17-14-20(8-9-21(17)27-11-10-25-16-27)22(29)24(31)28-13-12-26(15-18(28)2)23(30)19-6-4-3-5-7-19;1-17-15-25(22(29)19-5-3-2-4-6-19)13-14-27(17)23(30)21(28)18-7-9-20(10-8-18)26-12-11-24-16-26;1-16-15-24(21(28)18-5-3-2-4-6-18)11-12-25(16)22(29)20(27)17-7-9-19(10-8-17)26-13-14-31-23(26)30;1-16-15-25(21(29)17-6-3-2-4-7-17)12-13-26(16)22(30)20(28)18-8-9-19(23-14-18)27-11-5-10-24-27/h4-12,15,17H,13-14,16H2,1-3H3,(H,26,27);3-9,12-13,16H,10-11,14H2,1-2H3;3-12,15,18H,13-14,16H2,1-2H3;3-11,14,16,18H,12-13,15H2,1-2H3;2-12,16-17H,13-15H2,1H3;2-10,16H,11-15H2,1H3;2-11,14,16H,12-13,15H2,1H3/t17-;16-;2*18-;17-;2*16-/m1111111/s1.
What are the key properties of 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione?
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione has a molecular weight of 2941.29 g/mol, XLogP of 17.97, 29 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[2-(dimethylamino)-4-(1H-pyrazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-fluoro-4-(3-methyl-1,2-oxazol-5-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-yl-3-methylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(4-imidazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(3-methyl-4-pyrazol-1-ylphenyl)ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethane-1,2-dione;1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(6-pyrazol-1-yl-3-pyridinyl)ethane-1,2-dione is sourced from PubChem (CID 159674559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).