3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

C192H200N50O17S7 — CID 160691906

IUPAC3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2nc(-c3c(C)nc4ccc(C(=O)N5CCN(C)CC5)cn34)cs2)cc1.CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4ccc(C(=O)NCCN5CCOCC5)cn34)cs2)cc1.CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4ccc(C(=O)NCCOC)cn34)cs2)cc1.COCCNC(=O)c1ccc2nc(C)c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)n2c1.Cc1nc2cc(CCCN(C)C)ccn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.Cc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.Cc1nc2ccc(C(=O)NCCN3CCOCC3)cn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C31H32N8O3S.C30H30N8O2S.C29H31N7OS.C28H27N7O3S.C26H29N7O3S.C25H27N7O2S.C23H24N6O3S/c1-20-28(39-18-22(8-11-27(39)34-20)29(40)33-12-13-38-14-16-42-17-15-38)26-19-43-31(37-26)35-23-9-6-21(7-10-23)30(41)36-25-5-3-2-4-24(25)32;1-19-27(38-17-21(9-12-26(38)32-19)29(40)37-15-13-36(2)14-16-37)25-18-41-30(35-25)33-22-10-7-20(8-11-22)28(39)34-24-6-4-3-5-23(24)31;1-19-27(36-16-14-20(17-26(36)31-19)7-6-15-35(2)3)25-18-38-29(34-25)32-22-12-10-21(11-13-22)28(37)33-24-9-5-4-8-23(24)30;1-17-25(35-15-19(9-12-24(35)31-17)26(36)30-13-14-38-2)23-16-39-28(34-23)32-20-10-7-18(8-11-20)27(37)33-22-6-4-3-5-21(22)29;1-17-23(21-16-37-26(31-21)30-20-6-3-18(4-7-20)24(34)27-2)33-15-19(5-8-22(33)29-17)25(35)28-9-10-32-11-13-36-14-12-32;1-16-22(20-15-35-25(29-20)28-19-7-4-17(5-8-19)23(33)26-2)32-14-18(6-9-21(32)27-16)24(34)31-12-10-30(3)11-13-31;1-14-20(29-12-16(6-9-19(29)26-14)22(31)25-10-11-32-3)18-13-33-23(28-18)27-17-7-4-15(5-8-17)21(30)24-2/h2-11,18-19H,12-17,32H2,1H3,(H,33,40)(H,35,37)(H,36,41);3-12,17-18H,13-16,31H2,1-2H3,(H,33,35)(H,34,39);4-5,8-14,16-18H,6-7,15,30H2,1-3H3,(H,32,34)(H,33,37);3-12,15-16H,13-14,29H2,1-2H3,(H,30,36)(H,32,34)(H,33,37);3-8,15-16H,9-14H2,1-2H3,(H,27,34)(H,28,35)(H,30,31);4-9,14-15H,10-13H2,1-3H3,(H,26,33)(H,28,29);4-9,12-13H,10-11H2,1-3H3,(H,24,30)(H,25,31)(H,27,28)
InChIKeyRPMZEJKMKUXWCI-UHFFFAOYSA-N
MW3704.51 g/mol
LogP29.13
Rot. Bonds54

About 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide

3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 160691906) has the molecular formula C192H200N50O17S7 and a molecular weight of 3704.51 g/mol. Its IUPAC name is 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
PubChem CID160691906
Molecular FormulaC192H200N50O17S7
Molecular Weight3704.51 g/mol
Exact Mass3701.44
IUPAC Name3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2nc(-c3c(C)nc4ccc(C(=O)N5CCN(C)CC5)cn34)cs2)cc1.CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4ccc(C(=O)NCCN5CCOCC5)cn34)cs2)cc1.CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4ccc(C(=O)NCCOC)cn34)cs2)cc1.COCCNC(=O)c1ccc2nc(C)c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)n2c1.Cc1nc2cc(CCCN(C)C)ccn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.Cc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.Cc1nc2ccc(C(=O)NCCN3CCOCC3)cn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1
InChIInChI=1S/C31H32N8O3S.C30H30N8O2S.C29H31N7OS.C28H27N7O3S.C26H29N7O3S.C25H27N7O2S.C23H24N6O3S/c1-20-28(39-18-22(8-11-27(39)34-20)29(40)33-12-13-38-14-16-42-17-15-38)26-19-43-31(37-26)35-23-9-6-21(7-10-23)30(41)36-25-5-3-2-4-24(25)32;1-19-27(38-17-21(9-12-26(38)32-19)29(40)37-15-13-36(2)14-16-37)25-18-41-30(35-25)33-22-10-7-20(8-11-22)28(39)34-24-6-4-3-5-23(24)31;1-19-27(36-16-14-20(17-26(36)31-19)7-6-15-35(2)3)25-18-38-29(34-25)32-22-12-10-21(11-13-22)28(37)33-24-9-5-4-8-23(24)30;1-17-25(35-15-19(9-12-24(35)31-17)26(36)30-13-14-38-2)23-16-39-28(34-23)32-20-10-7-18(8-11-20)27(37)33-22-6-4-3-5-21(22)29;1-17-23(21-16-37-26(31-21)30-20-6-3-18(4-7-20)24(34)27-2)33-15-19(5-8-22(33)29-17)25(35)28-9-10-32-11-13-36-14-12-32;1-16-22(20-15-35-25(29-20)28-19-7-4-17(5-8-19)23(33)26-2)32-14-18(6-9-21(32)27-16)24(34)31-12-10-30(3)11-13-31;1-14-20(29-12-16(6-9-19(29)26-14)22(31)25-10-11-32-3)18-13-33-23(28-18)27-17-7-4-15(5-8-17)21(30)24-2/h2-11,18-19H,12-17,32H2,1H3,(H,33,40)(H,35,37)(H,36,41);3-12,17-18H,13-16,31H2,1-2H3,(H,33,35)(H,34,39);4-5,8-14,16-18H,6-7,15,30H2,1-3H3,(H,32,34)(H,33,37);3-12,15-16H,13-14,29H2,1-2H3,(H,30,36)(H,32,34)(H,33,37);3-8,15-16H,9-14H2,1-2H3,(H,27,34)(H,28,35)(H,30,31);4-9,14-15H,10-13H2,1-3H3,(H,26,33)(H,28,29);4-9,12-13H,10-11H2,1-3H3,(H,24,30)(H,25,31)(H,27,28)
InChIKeyRPMZEJKMKUXWCI-UHFFFAOYSA-N
XLogP29.13
TPSA813.46 Ų
H-Bond Donors22
H-Bond Acceptors61
Rotatable Bonds54
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003704.51
LogP ≤ 529.13
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

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

Analyze 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
The IUPAC name of 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide (CID 160691906) is 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide.
What is the SMILES notation for 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
The canonical SMILES for 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4ccc(C(=O)N5CCN(C)CC5)cn34)cs2)cc1.CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4ccc(C(=O)NCCN5CCOCC5)cn34)cs2)cc1.CNC(=O)c1ccc(Nc2nc(-c3c(C)nc4ccc(C(=O)NCCOC)cn34)cs2)cc1.COCCNC(=O)c1ccc2nc(C)c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)n2c1.Cc1nc2cc(CCCN(C)C)ccn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.Cc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.Cc1nc2ccc(C(=O)NCCN3CCOCC3)cn2c1-c1csc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.
What is the InChIKey of 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
The InChIKey is RPMZEJKMKUXWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N8O3S.C30H30N8O2S.C29H31N7OS.C28H27N7O3S.C26H29N7O3S.C25H27N7O2S.C23H24N6O3S/c1-20-28(39-18-22(8-11-27(39)34-20)29(40)33-12-13-38-14-16-42-17-15-38)26-19-43-31(37-26)35-23-9-6-21(7-10-23)30(41)36-25-5-3-2-4-24(25)32;1-19-27(38-17-21(9-12-26(38)32-19)29(40)37-15-13-36(2)14-16-37)25-18-41-30(35-25)33-22-10-7-20(8-11-22)28(39)34-24-6-4-3-5-23(24)31;1-19-27(36-16-14-20(17-26(36)31-19)7-6-15-35(2)3)25-18-38-29(34-25)32-22-12-10-21(11-13-22)28(37)33-24-9-5-4-8-23(24)30;1-17-25(35-15-19(9-12-24(35)31-17)26(36)30-13-14-38-2)23-16-39-28(34-23)32-20-10-7-18(8-11-20)27(37)33-22-6-4-3-5-21(22)29;1-17-23(21-16-37-26(31-21)30-20-6-3-18(4-7-20)24(34)27-2)33-15-19(5-8-22(33)29-17)25(35)28-9-10-32-11-13-36-14-12-32;1-16-22(20-15-35-25(29-20)28-19-7-4-17(5-8-19)23(33)26-2)32-14-18(6-9-21(32)27-16)24(34)31-12-10-30(3)11-13-31;1-14-20(29-12-16(6-9-19(29)26-14)22(31)25-10-11-32-3)18-13-33-23(28-18)27-17-7-4-15(5-8-17)21(30)24-2/h2-11,18-19H,12-17,32H2,1H3,(H,33,40)(H,35,37)(H,36,41);3-12,17-18H,13-16,31H2,1-2H3,(H,33,35)(H,34,39);4-5,8-14,16-18H,6-7,15,30H2,1-3H3,(H,32,34)(H,33,37);3-12,15-16H,13-14,29H2,1-2H3,(H,30,36)(H,32,34)(H,33,37);3-8,15-16H,9-14H2,1-2H3,(H,27,34)(H,28,35)(H,30,31);4-9,14-15H,10-13H2,1-3H3,(H,26,33)(H,28,29);4-9,12-13H,10-11H2,1-3H3,(H,24,30)(H,25,31)(H,27,28).
What are the key properties of 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide?
3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 3704.51 g/mol, XLogP of 29.13, 54 rotatable bonds, 22 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide;3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-(2-aminophenyl)-4-[[4-[7-[3-(dimethylamino)propyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-methoxyethyl)-2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide;N-methyl-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 160691906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).