ethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate

C211H230F8N30O29 — CID 158113832

IUPACethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate
SMILESCC(C)OC(=O)C(=O)c1ccc2[nH]cc(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)c2c1.CCOC(=O)C(=O)c1ccc2[nH]cc(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)c2c1.COC(=O)C(=O)c1ccc2[nH]cc(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)c2c1.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc(C(=O)C(=O)N3CCN(C)CC3)cc12.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc(C(=O)C(=O)N3CCNCC3)cc12.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc(C(=O)C(=O)N3CCOCC3)cc12.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc(C(=O)C(=O)O)cc12.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc(C(=O)C(N)=O)cc12
InChIInChI=1S/C29H34FN5O3.C28H32FN5O3.C28H31FN4O4.C27H30FN3O4.C26H28FN3O4.C25H26FN3O4.C24H25FN4O3.C24H24FN3O4/c1-19-17-35(20(2)16-34(19)18-21-4-7-23(30)8-5-21)28(37)25-15-31-26-9-6-22(14-24(25)26)27(36)29(38)33-12-10-32(3)11-13-33;1-18-16-34(19(2)15-33(18)17-20-3-6-22(29)7-4-20)27(36)24-14-31-25-8-5-21(13-23(24)25)26(35)28(37)32-11-9-30-10-12-32;1-18-16-33(19(2)15-32(18)17-20-3-6-22(29)7-4-20)27(35)24-14-30-25-8-5-21(13-23(24)25)26(34)28(36)31-9-11-37-12-10-31;1-16(2)35-27(34)25(32)20-7-10-24-22(11-20)23(12-29-24)26(33)31-14-17(3)30(13-18(31)4)15-19-5-8-21(28)9-6-19;1-4-34-26(33)24(31)19-7-10-23-21(11-19)22(12-28-23)25(32)30-14-16(2)29(13-17(30)3)15-18-5-8-20(27)9-6-18;1-15-13-29(16(2)12-28(15)14-17-4-7-19(26)8-5-17)24(31)21-11-27-22-9-6-18(10-20(21)22)23(30)25(32)33-3;1-14-12-29(15(2)11-28(14)13-16-3-6-18(25)7-4-16)24(32)20-10-27-21-8-5-17(9-19(20)21)22(30)23(26)31;1-14-12-28(15(2)11-27(14)13-16-3-6-18(25)7-4-16)23(30)20-10-26-21-8-5-17(9-19(20)21)22(29)24(31)32/h4-9,14-15,19-20,31H,10-13,16-18H2,1-3H3;3-8,13-14,18-19,30-31H,9-12,15-17H2,1-2H3;3-8,13-14,18-19,30H,9-12,15-17H2,1-2H3;5-12,16-18,29H,13-15H2,1-4H3;5-12,16-17,28H,4,13-15H2,1-3H3;4-11,15-16,27H,12-14H2,1-3H3;3-10,14-15,27H,11-13H2,1-2H3,(H2,26,31);3-10,14-15,26H,11-13H2,1-2H3,(H,31,32)/t19-,20+;2*18-,19+;17-,18+;16-,17+;15-,16+;2*14-,15+/m00000000/s1
InChIKeyFQTJKVXROYWJCC-KEDXUGQZSA-N
MW3802.33 g/mol
LogP26.12
Rot. Bonds42

About ethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate

ethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate (PubChem CID 158113832) has the molecular formula C211H230F8N30O29 and a molecular weight of 3802.33 g/mol. Its IUPAC name is ethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate
PubChem CID158113832
Molecular FormulaC211H230F8N30O29
Molecular Weight3802.33 g/mol
Exact Mass3799.73
IUPAC Nameethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate
SMILESCC(C)OC(=O)C(=O)c1ccc2[nH]cc(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)c2c1.CCOC(=O)C(=O)c1ccc2[nH]cc(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)c2c1.COC(=O)C(=O)c1ccc2[nH]cc(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)c2c1.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc(C(=O)C(=O)N3CCN(C)CC3)cc12.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc(C(=O)C(=O)N3CCNCC3)cc12.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc(C(=O)C(=O)N3CCOCC3)cc12.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc(C(=O)C(=O)O)cc12.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc(C(=O)C(N)=O)cc12
InChIInChI=1S/C29H34FN5O3.C28H32FN5O3.C28H31FN4O4.C27H30FN3O4.C26H28FN3O4.C25H26FN3O4.C24H25FN4O3.C24H24FN3O4/c1-19-17-35(20(2)16-34(19)18-21-4-7-23(30)8-5-21)28(37)25-15-31-26-9-6-22(14-24(25)26)27(36)29(38)33-12-10-32(3)11-13-33;1-18-16-34(19(2)15-33(18)17-20-3-6-22(29)7-4-20)27(36)24-14-31-25-8-5-21(13-23(24)25)26(35)28(37)32-11-9-30-10-12-32;1-18-16-33(19(2)15-32(18)17-20-3-6-22(29)7-4-20)27(35)24-14-30-25-8-5-21(13-23(24)25)26(34)28(36)31-9-11-37-12-10-31;1-16(2)35-27(34)25(32)20-7-10-24-22(11-20)23(12-29-24)26(33)31-14-17(3)30(13-18(31)4)15-19-5-8-21(28)9-6-19;1-4-34-26(33)24(31)19-7-10-23-21(11-19)22(12-28-23)25(32)30-14-16(2)29(13-17(30)3)15-18-5-8-20(27)9-6-18;1-15-13-29(16(2)12-28(15)14-17-4-7-19(26)8-5-17)24(31)21-11-27-22-9-6-18(10-20(21)22)23(30)25(32)33-3;1-14-12-29(15(2)11-28(14)13-16-3-6-18(25)7-4-16)24(32)20-10-27-21-8-5-17(9-19(20)21)22(30)23(26)31;1-14-12-28(15(2)11-27(14)13-16-3-6-18(25)7-4-16)23(30)20-10-26-21-8-5-17(9-19(20)21)22(29)24(31)32/h4-9,14-15,19-20,31H,10-13,16-18H2,1-3H3;3-8,13-14,18-19,30-31H,9-12,15-17H2,1-2H3;3-8,13-14,18-19,30H,9-12,15-17H2,1-2H3;5-12,16-18,29H,13-15H2,1-4H3;5-12,16-17,28H,4,13-15H2,1-3H3;4-11,15-16,27H,12-14H2,1-3H3;3-10,14-15,27H,11-13H2,1-2H3,(H2,26,31);3-10,14-15,26H,11-13H2,1-2H3,(H,31,32)/t19-,20+;2*18-,19+;17-,18+;16-,17+;15-,16+;2*14-,15+/m00000000/s1
InChIKeyFQTJKVXROYWJCC-KEDXUGQZSA-N
XLogP26.12
TPSA696.00 Ų
H-Bond Donors11
H-Bond Acceptors38
Rotatable Bonds42
Heavy Atoms278
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003802.33
LogP ≤ 526.12
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1038

Analyze ethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate (CID 158113832) is ethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate is CC(C)OC(=O)C(=O)c1ccc2[nH]cc(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)c2c1.CCOC(=O)C(=O)c1ccc2[nH]cc(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)c2c1.COC(=O)C(=O)c1ccc2[nH]cc(C(=O)N3C[C@H](C)N(Cc4ccc(F)cc4)C[C@H]3C)c2c1.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc(C(=O)C(=O)N3CCN(C)CC3)cc12.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc(C(=O)C(=O)N3CCNCC3)cc12.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc(C(=O)C(=O)N3CCOCC3)cc12.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc(C(=O)C(=O)O)cc12.C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)c1c[nH]c2ccc(C(=O)C(N)=O)cc12.
What is the InChIKey of ethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate?
The InChIKey is FQTJKVXROYWJCC-KEDXUGQZSA-N. The full InChI is InChI=1S/C29H34FN5O3.C28H32FN5O3.C28H31FN4O4.C27H30FN3O4.C26H28FN3O4.C25H26FN3O4.C24H25FN4O3.C24H24FN3O4/c1-19-17-35(20(2)16-34(19)18-21-4-7-23(30)8-5-21)28(37)25-15-31-26-9-6-22(14-24(25)26)27(36)29(38)33-12-10-32(3)11-13-33;1-18-16-34(19(2)15-33(18)17-20-3-6-22(29)7-4-20)27(36)24-14-31-25-8-5-21(13-23(24)25)26(35)28(37)32-11-9-30-10-12-32;1-18-16-33(19(2)15-32(18)17-20-3-6-22(29)7-4-20)27(35)24-14-30-25-8-5-21(13-23(24)25)26(34)28(36)31-9-11-37-12-10-31;1-16(2)35-27(34)25(32)20-7-10-24-22(11-20)23(12-29-24)26(33)31-14-17(3)30(13-18(31)4)15-19-5-8-21(28)9-6-19;1-4-34-26(33)24(31)19-7-10-23-21(11-19)22(12-28-23)25(32)30-14-16(2)29(13-17(30)3)15-18-5-8-20(27)9-6-18;1-15-13-29(16(2)12-28(15)14-17-4-7-19(26)8-5-17)24(31)21-11-27-22-9-6-18(10-20(21)22)23(30)25(32)33-3;1-14-12-29(15(2)11-28(14)13-16-3-6-18(25)7-4-16)24(32)20-10-27-21-8-5-17(9-19(20)21)22(30)23(26)31;1-14-12-28(15(2)11-27(14)13-16-3-6-18(25)7-4-16)23(30)20-10-26-21-8-5-17(9-19(20)21)22(29)24(31)32/h4-9,14-15,19-20,31H,10-13,16-18H2,1-3H3;3-8,13-14,18-19,30-31H,9-12,15-17H2,1-2H3;3-8,13-14,18-19,30H,9-12,15-17H2,1-2H3;5-12,16-18,29H,13-15H2,1-4H3;5-12,16-17,28H,4,13-15H2,1-3H3;4-11,15-16,27H,12-14H2,1-3H3;3-10,14-15,27H,11-13H2,1-2H3,(H2,26,31);3-10,14-15,26H,11-13H2,1-2H3,(H,31,32)/t19-,20+;2*18-,19+;17-,18+;16-,17+;15-,16+;2*14-,15+/m00000000/s1.
What are the key properties of ethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate?
ethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate has a molecular weight of 3802.33 g/mol, XLogP of 26.12, 42 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate is sourced from PubChem (CID 158113832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).