3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide

C147H156F2N30O10S — CID 162213466

IUPAC3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide
SMILESCOCCN1CCN(c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(-n3cnc(C)c3)c2)CC1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(-n3cnc(C)c3)c2)cc1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccc(F)cc5)n4)c3)cc(N3CCOCC3)c2)cn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(N3CCN(C)CC3)c2)cn1.Cc1cn(-c2cc(NS(=O)(=O)c3ccc(C)c(Nc4nccc(-c5ccc(F)cc5)n4)c3)cc(N3CCN(C)CC3)c2)cn1
InChIInChI=1S/C32H33FN8O2S.C32H30FN7O2.C31H35N5O3.C29H31N5O2.C23H27N5O/c1-22-4-9-29(19-31(22)37-32-34-11-10-30(36-32)24-5-7-25(33)8-6-24)44(42,43)38-26-16-27(40-14-12-39(3)13-15-40)18-28(17-26)41-20-23(2)35-21-41;1-21-3-4-24(15-30(21)38-32-34-10-9-29(37-32)23-5-7-25(33)8-6-23)31(41)36-26-16-27(39-11-13-42-14-12-39)18-28(17-26)40-19-22(2)35-20-40;1-23-9-10-25(17-30(23)39-29-7-5-4-6-8-29)31(37)33-26-18-27(20-28(19-26)36-21-24(2)32-22-36)35-13-11-34(12-14-35)15-16-38-3;1-21-9-10-23(15-28(21)36-27-7-5-4-6-8-27)29(35)31-24-16-25(33-13-11-32(3)12-14-33)18-26(17-24)34-19-22(2)30-20-34;1-17-4-6-19(7-5-17)23(29)25-20-12-21(27-10-8-26(3)9-11-27)14-22(13-20)28-15-18(2)24-16-28/h4-11,16-21,38H,12-15H2,1-3H3,(H,34,36,37);3-10,15-20H,11-14H2,1-2H3,(H,36,41)(H,34,37,38);4-10,17-22H,11-16H2,1-3H3,(H,33,37);4-10,15-20H,11-14H2,1-3H3,(H,31,35);4-7,12-16H,8-11H2,1-3H3,(H,25,29)
InChIKeyZTDXJVLTCMBIQU-UHFFFAOYSA-N
MW2573.13 g/mol
LogP25.38
Rot. Bonds34

About 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide

3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide (PubChem CID 162213466) has the molecular formula C147H156F2N30O10S and a molecular weight of 2573.13 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide
PubChem CID162213466
Molecular FormulaC147H156F2N30O10S
Molecular Weight2573.13 g/mol
Exact Mass2571.23
IUPAC Name3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide
SMILESCOCCN1CCN(c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(-n3cnc(C)c3)c2)CC1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(-n3cnc(C)c3)c2)cc1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccc(F)cc5)n4)c3)cc(N3CCOCC3)c2)cn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(N3CCN(C)CC3)c2)cn1.Cc1cn(-c2cc(NS(=O)(=O)c3ccc(C)c(Nc4nccc(-c5ccc(F)cc5)n4)c3)cc(N3CCN(C)CC3)c2)cn1
InChIInChI=1S/C32H33FN8O2S.C32H30FN7O2.C31H35N5O3.C29H31N5O2.C23H27N5O/c1-22-4-9-29(19-31(22)37-32-34-11-10-30(36-32)24-5-7-25(33)8-6-24)44(42,43)38-26-16-27(40-14-12-39(3)13-15-40)18-28(17-26)41-20-23(2)35-21-41;1-21-3-4-24(15-30(21)38-32-34-10-9-29(37-32)23-5-7-25(33)8-6-23)31(41)36-26-16-27(39-11-13-42-14-12-39)18-28(17-26)40-19-22(2)35-20-40;1-23-9-10-25(17-30(23)39-29-7-5-4-6-8-29)31(37)33-26-18-27(20-28(19-26)36-21-24(2)32-22-36)35-13-11-34(12-14-35)15-16-38-3;1-21-9-10-23(15-28(21)36-27-7-5-4-6-8-27)29(35)31-24-16-25(33-13-11-32(3)12-14-33)18-26(17-24)34-19-22(2)30-20-34;1-17-4-6-19(7-5-17)23(29)25-20-12-21(27-10-8-26(3)9-11-27)14-22(13-20)28-15-18(2)24-16-28/h4-11,16-21,38H,12-15H2,1-3H3,(H,34,36,37);3-10,15-20H,11-14H2,1-2H3,(H,36,41)(H,34,37,38);4-10,17-22H,11-16H2,1-3H3,(H,33,37);4-10,15-20H,11-14H2,1-3H3,(H,31,35);4-7,12-16H,8-11H2,1-3H3,(H,25,29)
InChIKeyZTDXJVLTCMBIQU-UHFFFAOYSA-N
XLogP25.38
TPSA393.37 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds34
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002573.13
LogP ≤ 525.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Analyze 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide?
The IUPAC name of 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide (CID 162213466) is 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide?
The canonical SMILES for 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide is COCCN1CCN(c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(-n3cnc(C)c3)c2)CC1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(-n3cnc(C)c3)c2)cc1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5ccc(F)cc5)n4)c3)cc(N3CCOCC3)c2)cn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)cc(N3CCN(C)CC3)c2)cn1.Cc1cn(-c2cc(NS(=O)(=O)c3ccc(C)c(Nc4nccc(-c5ccc(F)cc5)n4)c3)cc(N3CCN(C)CC3)c2)cn1.
What is the InChIKey of 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide?
The InChIKey is ZTDXJVLTCMBIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33FN8O2S.C32H30FN7O2.C31H35N5O3.C29H31N5O2.C23H27N5O/c1-22-4-9-29(19-31(22)37-32-34-11-10-30(36-32)24-5-7-25(33)8-6-24)44(42,43)38-26-16-27(40-14-12-39(3)13-15-40)18-28(17-26)41-20-23(2)35-21-41;1-21-3-4-24(15-30(21)38-32-34-10-9-29(37-32)23-5-7-25(33)8-6-23)31(41)36-26-16-27(39-11-13-42-14-12-39)18-28(17-26)40-19-22(2)35-20-40;1-23-9-10-25(17-30(23)39-29-7-5-4-6-8-29)31(37)33-26-18-27(20-28(19-26)36-21-24(2)32-22-36)35-13-11-34(12-14-35)15-16-38-3;1-21-9-10-23(15-28(21)36-27-7-5-4-6-8-27)29(35)31-24-16-25(33-13-11-32(3)12-14-33)18-26(17-24)34-19-22(2)30-20-34;1-17-4-6-19(7-5-17)23(29)25-20-12-21(27-10-8-26(3)9-11-27)14-22(13-20)28-15-18(2)24-16-28/h4-11,16-21,38H,12-15H2,1-3H3,(H,34,36,37);3-10,15-20H,11-14H2,1-2H3,(H,36,41)(H,34,37,38);4-10,17-22H,11-16H2,1-3H3,(H,33,37);4-10,15-20H,11-14H2,1-3H3,(H,31,35);4-7,12-16H,8-11H2,1-3H3,(H,25,29).
What are the key properties of 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide?
3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide has a molecular weight of 2573.13 g/mol, XLogP of 25.38, 34 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]amino]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-morpholin-4-ylphenyl]benzamide;N-[3-[4-(2-methoxyethyl)piperazin-1-yl]-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(4-methylpiperazin-1-yl)phenyl]-3-phenoxybenzamide is sourced from PubChem (CID 162213466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).