2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone

C230H246ClN23O14 — CID 159911785

IUPAC2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone
SMILESCC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5cccn5C)cc4Cl)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5ccnn5C)cc4)cc3)cc2)CC1.CCCN(C)c1ccc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4cccn4C)cc3)cc2)cc1.CN1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5cccn5C)cc4)cc3)cc2)CC1.Cc1c[nH]cc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2)cc1.Cc1cc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)cc2)c(C)[nH]1.Cc1cc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)cc2)c(C)n1C
InChIInChI=1S/C35H39N3O2.C34H37N3O2.C33H34ClN3O2.C33H35N3O2.2C32H34N4O2.C31H33N3O2/c1-24-17-19-38(20-18-24)32-15-9-29(10-16-32)34(39)22-27-5-11-30(12-6-27)36-31-13-7-28(8-14-31)23-35(40)33-21-25(2)37(4)26(33)3;1-23-16-18-37(19-17-23)31-14-8-28(9-15-31)33(38)21-26-4-10-29(11-5-26)36-30-12-6-27(7-13-30)22-34(39)32-20-24(2)35-25(32)3;1-23-15-18-37(19-16-23)28-12-8-26(9-13-28)32(38)21-24-5-10-27(11-6-24)35-30-14-7-25(20-29(30)34)22-33(39)31-4-3-17-36(31)2;1-23-15-17-36(18-16-23)30-13-7-27(8-14-30)32(37)19-25-3-9-28(10-4-25)35-29-11-5-26(6-12-29)20-33(38)31-22-34-21-24(31)2;1-23-16-19-36(20-17-23)29-13-7-26(8-14-29)31(37)21-24-3-9-27(10-4-24)34-28-11-5-25(6-12-28)22-32(38)30-15-18-33-35(30)2;1-34-18-20-36(21-19-34)29-15-9-26(10-16-29)31(37)22-24-5-11-27(12-6-24)33-28-13-7-25(8-14-28)23-32(38)30-4-3-17-35(30)2;1-4-19-33(2)28-17-11-25(12-18-28)30(35)21-23-7-13-26(14-8-23)32-27-15-9-24(10-16-27)22-31(36)29-6-5-20-34(29)3/h5-16,21,24,36H,17-20,22-23H2,1-4H3;4-15,20,23,35-36H,16-19,21-22H2,1-3H3;3-14,17,20,23,35H,15-16,18-19,21-22H2,1-2H3;3-14,21-23,34-35H,15-20H2,1-2H3;3-15,18,23,34H,16-17,19-22H2,1-2H3;3-17,33H,18-23H2,1-2H3;5-18,20,32H,4,19,21-22H2,1-3H3
InChIKeyNXGPYANOXNGKQF-UHFFFAOYSA-N
MW3592.10 g/mol
LogP47.69
Rot. Bonds65

About 2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone

2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone (PubChem CID 159911785) has the molecular formula C230H246ClN23O14 and a molecular weight of 3592.10 g/mol. Its IUPAC name is 2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone.

Molecular Properties

Compound Name2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone
PubChem CID159911785
Molecular FormulaC230H246ClN23O14
Molecular Weight3592.10 g/mol
Exact Mass3588.89
IUPAC Name2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone
SMILESCC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5cccn5C)cc4Cl)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5ccnn5C)cc4)cc3)cc2)CC1.CCCN(C)c1ccc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4cccn4C)cc3)cc2)cc1.CN1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5cccn5C)cc4)cc3)cc2)CC1.Cc1c[nH]cc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2)cc1.Cc1cc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)cc2)c(C)[nH]1.Cc1cc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)cc2)c(C)n1C
InChIInChI=1S/C35H39N3O2.C34H37N3O2.C33H34ClN3O2.C33H35N3O2.2C32H34N4O2.C31H33N3O2/c1-24-17-19-38(20-18-24)32-15-9-29(10-16-32)34(39)22-27-5-11-30(12-6-27)36-31-13-7-28(8-14-31)23-35(40)33-21-25(2)37(4)26(33)3;1-23-16-18-37(19-17-23)31-14-8-28(9-15-31)33(38)21-26-4-10-29(11-5-26)36-30-12-6-27(7-13-30)22-34(39)32-20-24(2)35-25(32)3;1-23-15-18-37(19-16-23)28-12-8-26(9-13-28)32(38)21-24-5-10-27(11-6-24)35-30-14-7-25(20-29(30)34)22-33(39)31-4-3-17-36(31)2;1-23-15-17-36(18-16-23)30-13-7-27(8-14-30)32(37)19-25-3-9-28(10-4-25)35-29-11-5-26(6-12-29)20-33(38)31-22-34-21-24(31)2;1-23-16-19-36(20-17-23)29-13-7-26(8-14-29)31(37)21-24-3-9-27(10-4-24)34-28-11-5-25(6-12-28)22-32(38)30-15-18-33-35(30)2;1-34-18-20-36(21-19-34)29-15-9-26(10-16-29)31(37)22-24-5-11-27(12-6-24)33-28-13-7-25(8-14-28)23-32(38)30-4-3-17-35(30)2;1-4-19-33(2)28-17-11-25(12-18-28)30(35)21-23-7-13-26(14-8-23)32-27-15-9-24(10-16-27)22-31(36)29-6-5-20-34(29)3/h5-16,21,24,36H,17-20,22-23H2,1-4H3;4-15,20,23,35-36H,16-19,21-22H2,1-3H3;3-14,17,20,23,35H,15-16,18-19,21-22H2,1-2H3;3-14,21-23,34-35H,15-20H2,1-2H3;3-15,18,23,34H,16-17,19-22H2,1-2H3;3-17,33H,18-23H2,1-2H3;5-18,20,32H,4,19,21-22H2,1-3H3
InChIKeyNXGPYANOXNGKQF-UHFFFAOYSA-N
XLogP47.69
TPSA418.23 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds65
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003592.10
LogP ≤ 547.69
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze 2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone 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 2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone?
The IUPAC name of 2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone (CID 159911785) is 2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone.
What is the SMILES notation for 2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone?
The canonical SMILES for 2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone is CC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5cccn5C)cc4Cl)cc3)cc2)CC1.CC1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5ccnn5C)cc4)cc3)cc2)CC1.CCCN(C)c1ccc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4cccn4C)cc3)cc2)cc1.CN1CCN(c2ccc(C(=O)Cc3ccc(Nc4ccc(CC(=O)c5cccn5C)cc4)cc3)cc2)CC1.Cc1c[nH]cc1C(=O)Cc1ccc(Nc2ccc(CC(=O)c3ccc(N4CCC(C)CC4)cc3)cc2)cc1.Cc1cc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)cc2)c(C)[nH]1.Cc1cc(C(=O)Cc2ccc(Nc3ccc(CC(=O)c4ccc(N5CCC(C)CC5)cc4)cc3)cc2)c(C)n1C.
What is the InChIKey of 2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone?
The InChIKey is NXGPYANOXNGKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N3O2.C34H37N3O2.C33H34ClN3O2.C33H35N3O2.2C32H34N4O2.C31H33N3O2/c1-24-17-19-38(20-18-24)32-15-9-29(10-16-32)34(39)22-27-5-11-30(12-6-27)36-31-13-7-28(8-14-31)23-35(40)33-21-25(2)37(4)26(33)3;1-23-16-18-37(19-17-23)31-14-8-28(9-15-31)33(38)21-26-4-10-29(11-5-26)36-30-12-6-27(7-13-30)22-34(39)32-20-24(2)35-25(32)3;1-23-15-18-37(19-16-23)28-12-8-26(9-13-28)32(38)21-24-5-10-27(11-6-24)35-30-14-7-25(20-29(30)34)22-33(39)31-4-3-17-36(31)2;1-23-15-17-36(18-16-23)30-13-7-27(8-14-30)32(37)19-25-3-9-28(10-4-25)35-29-11-5-26(6-12-29)20-33(38)31-22-34-21-24(31)2;1-23-16-19-36(20-17-23)29-13-7-26(8-14-29)31(37)21-24-3-9-27(10-4-24)34-28-11-5-25(6-12-28)22-32(38)30-15-18-33-35(30)2;1-34-18-20-36(21-19-34)29-15-9-26(10-16-29)31(37)22-24-5-11-27(12-6-24)33-28-13-7-25(8-14-28)23-32(38)30-4-3-17-35(30)2;1-4-19-33(2)28-17-11-25(12-18-28)30(35)21-23-7-13-26(14-8-23)32-27-15-9-24(10-16-27)22-31(36)29-6-5-20-34(29)3/h5-16,21,24,36H,17-20,22-23H2,1-4H3;4-15,20,23,35-36H,16-19,21-22H2,1-3H3;3-14,17,20,23,35H,15-16,18-19,21-22H2,1-2H3;3-14,21-23,34-35H,15-20H2,1-2H3;3-15,18,23,34H,16-17,19-22H2,1-2H3;3-17,33H,18-23H2,1-2H3;5-18,20,32H,4,19,21-22H2,1-3H3.
What are the key properties of 2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone?
2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone has a molecular weight of 3592.10 g/mol, XLogP of 47.69, 65 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-chloro-4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;2-[4-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanone;1-[4-(4-methylpiperazin-1-yl)phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(2-methylpyrazol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-(4-methyl-1H-pyrrol-3-yl)-2-oxoethyl]anilino]phenyl]ethanone;1-[4-(4-methylpiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]anilino]phenyl]ethanone;1-[4-[methyl(propyl)amino]phenyl]-2-[4-[4-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]anilino]phenyl]ethanone is sourced from PubChem (CID 159911785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).