bis(N-(2-aminophenyl)-4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);benzene-1,2-diamine;2-bromo-1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate;1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(oxan-2-yloxy)benzamide;4-methoxy-2-methylpyridine;molecular bromine;O-(oxan-2-yl)hydroxylamine

C169H175Br3ClN35O25S6 — CID 157121785

About bis(N-(2-aminophenyl)-4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);benzene-1,2-diamine;2-bromo-1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate;1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(oxan-2-yloxy)benzamide;4-methoxy-2-methylpyridine;molecular bromine;O-(oxan-2-yl)hydroxylamine

bis(N-(2-aminophenyl)-4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);benzene-1,2-diamine;2-bromo-1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate;1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(oxan-2-yloxy)benzamide;4-methoxy-2-methylpyridine;molecular bromine;O-(oxan-2-yl)hydroxylamine (PubChem CID 157121785) has the molecular formula C169H175Br3ClN35O25S6 and a molecular weight of 3564.05 g/mol. Its IUPAC name is bis(N-(2-aminophenyl)-4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);benzene-1,2-diamine;2-bromo-1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate;1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(oxan-2-yloxy)benzamide;4-methoxy-2-methylpyridine;molecular bromine;O-(oxan-2-yl)hydroxylamine.

Molecular Properties

• Compound Name: bis(N-(2-aminophenyl)-4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);benzene-1,2-diamine;2-bromo-1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate;1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(oxan-2-yloxy)benzamide;4-methoxy-2-methylpyridine;molecular bromine;O-(oxan-2-yl)hydroxylamine
• PubChem CID: 157121785
• Molecular Formula: C169H175Br3ClN35O25S6
• Molecular Weight: 3564.05 g/mol
• Exact Mass: 3557.91
• IUPAC Name: bis(N-(2-aminophenyl)-4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);benzene-1,2-diamine;2-bromo-1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate;1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(oxan-2-yloxy)benzamide;4-methoxy-2-methylpyridine;molecular bromine;O-(oxan-2-yl)hydroxylamine
• SMILES: BrBr.CC(=O)C(Cl)C(C)=O.CCOC(=O)c1ccc(NC(N)=S)cc1.CCOC(=O)c1ccc(Nc2nc(-c3c(C)nc4cc(OC)ccn34)cs2)cc1.COc1ccn2c(-c3csc(Nc4ccc(C(=O)NOC5CCCCO5)cc4)n3)c(C)nc2c1.COc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)c(C)nc2c1.COc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)c(C)nc2c1.COc1ccn2c(-c3csc(Nc4ccc(C(=O)O)cc4)n3)c(C)nc2c1.COc1ccn2c(C(=O)CBr)c(C)nc2c1.COc1ccn2c(C(C)=O)c(C)nc2c1.COc1ccnc(C)c1.NOC1CCCCO1.Nc1ccccc1N
• InChI: InChI=1S/2C25H22N6O2S.C24H25N5O4S.C21H20N4O3S.C19H16N4O3S.C11H11BrN2O2.C11H12N2O2.C10H12N2O2S.C7H9NO.C6H8N2.C5H7ClO2.C5H11NO2.Br2/c2*1-15-23(31-12-11-18(33-2)13-22(31)27-15)21-14-34-25(30-21)28-17-9-7-16(8-10-17)24(32)29-20-6-4-3-5-19(20)26;1-15-22(29-11-10-18(31-2)13-20(29)25-15)19-14-34-24(27-19)26-17-8-6-16(7-9-17)23(30)28-33-21-5-3-4-12-32-21;1-4-28-20(26)14-5-7-15(8-6-14)23-21-24-17(12-29-21)19-13(2)22-18-11-16(27-3)9-10-25(18)19;1-11-17(23-8-7-14(26-2)9-16(23)20-11)15-10-27-19(22-15)21-13-5-3-12(4-6-13)18(24)25;1-7-11(9(15)6-12)14-4-3-8(16-2)5-10(14)13-7;1-7-11(8(2)14)13-5-4-9(15-3)6-10(13)12-7;1-2-14-9(13)7-3-5-8(6-4-7)12-10(11)15;1-6-5-7(9-2)3-4-8-6;7-5-3-1-2-4-6(5)8;1-3(7)5(6)4(2)8;6-8-5-3-1-2-4-7-5;1-2/h2*3-14H,26H2,1-2H3,(H,28,30)(H,29,32);6-11,13-14,21H,3-5,12H2,1-2H3,(H,26,27)(H,28,30);5-12H,4H2,1-3H3,(H,23,24);3-10H,1-2H3,(H,21,22)(H,24,25);3-5H,6H2,1-2H3;4-6H,1-3H3;3-6H,2H2,1H3,(H3,11,12,15);3-5H,1-2H3;1-4H,7-8H2;5H,1-2H3;5H,1-4,6H2
• InChIKey: AIBDKTFFCWUBRE-UHFFFAOYSA-N
• XLogP: 35.04
• TPSA: 782.98 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 60
• Rotatable Bonds: 42
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3564.05
LogP ≤ 5	35.04
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(N-(2-aminophenyl)-4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);benzene-1,2-diamine;2-bromo-1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate;1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(oxan-2-yloxy)benzamide;4-methoxy-2-methylpyridine;molecular bromine;O-(oxan-2-yl)hydroxylamine?

The IUPAC name of bis(N-(2-aminophenyl)-4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);benzene-1,2-diamine;2-bromo-1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate;1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(oxan-2-yloxy)benzamide;4-methoxy-2-methylpyridine;molecular bromine;O-(oxan-2-yl)hydroxylamine (CID 157121785) is bis(N-(2-aminophenyl)-4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);benzene-1,2-diamine;2-bromo-1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate;1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(oxan-2-yloxy)benzamide;4-methoxy-2-methylpyridine;molecular bromine;O-(oxan-2-yl)hydroxylamine.

What is the SMILES notation for bis(N-(2-aminophenyl)-4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);benzene-1,2-diamine;2-bromo-1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate;1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(oxan-2-yloxy)benzamide;4-methoxy-2-methylpyridine;molecular bromine;O-(oxan-2-yl)hydroxylamine?

The canonical SMILES for bis(N-(2-aminophenyl)-4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);benzene-1,2-diamine;2-bromo-1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate;1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(oxan-2-yloxy)benzamide;4-methoxy-2-methylpyridine;molecular bromine;O-(oxan-2-yl)hydroxylamine is BrBr.CC(=O)C(Cl)C(C)=O.CCOC(=O)c1ccc(NC(N)=S)cc1.CCOC(=O)c1ccc(Nc2nc(-c3c(C)nc4cc(OC)ccn34)cs2)cc1.COc1ccn2c(-c3csc(Nc4ccc(C(=O)NOC5CCCCO5)cc4)n3)c(C)nc2c1.COc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)c(C)nc2c1.COc1ccn2c(-c3csc(Nc4ccc(C(=O)Nc5ccccc5N)cc4)n3)c(C)nc2c1.COc1ccn2c(-c3csc(Nc4ccc(C(=O)O)cc4)n3)c(C)nc2c1.COc1ccn2c(C(=O)CBr)c(C)nc2c1.COc1ccn2c(C(C)=O)c(C)nc2c1.COc1ccnc(C)c1.NOC1CCCCO1.Nc1ccccc1N.

What is the InChIKey of bis(N-(2-aminophenyl)-4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);benzene-1,2-diamine;2-bromo-1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate;1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(oxan-2-yloxy)benzamide;4-methoxy-2-methylpyridine;molecular bromine;O-(oxan-2-yl)hydroxylamine?

The InChIKey is AIBDKTFFCWUBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H22N6O2S.C24H25N5O4S.C21H20N4O3S.C19H16N4O3S.C11H11BrN2O2.C11H12N2O2.C10H12N2O2S.C7H9NO.C6H8N2.C5H7ClO2.C5H11NO2.Br2/c2*1-15-23(31-12-11-18(33-2)13-22(31)27-15)21-14-34-25(30-21)28-17-9-7-16(8-10-17)24(32)29-20-6-4-3-5-19(20)26;1-15-22(29-11-10-18(31-2)13-20(29)25-15)19-14-34-24(27-19)26-17-8-6-16(7-9-17)23(30)28-33-21-5-3-4-12-32-21;1-4-28-20(26)14-5-7-15(8-6-14)23-21-24-17(12-29-21)19-13(2)22-18-11-16(27-3)9-10-25(18)19;1-11-17(23-8-7-14(26-2)9-16(23)20-11)15-10-27-19(22-15)21-13-5-3-12(4-6-13)18(24)25;1-7-11(9(15)6-12)14-4-3-8(16-2)5-10(14)13-7;1-7-11(8(2)14)13-5-4-9(15-3)6-10(13)12-7;1-2-14-9(13)7-3-5-8(6-4-7)12-10(11)15;1-6-5-7(9-2)3-4-8-6;7-5-3-1-2-4-6(5)8;1-3(7)5(6)4(2)8;6-8-5-3-1-2-4-7-5;1-2/h2*3-14H,26H2,1-2H3,(H,28,30)(H,29,32);6-11,13-14,21H,3-5,12H2,1-2H3,(H,26,27)(H,28,30);5-12H,4H2,1-3H3,(H,23,24);3-10H,1-2H3,(H,21,22)(H,24,25);3-5H,6H2,1-2H3;4-6H,1-3H3;3-6H,2H2,1H3,(H3,11,12,15);3-5H,1-2H3;1-4H,7-8H2;5H,1-2H3;5H,1-4,6H2;.

What are the key properties of bis(N-(2-aminophenyl)-4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);benzene-1,2-diamine;2-bromo-1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate;1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(oxan-2-yloxy)benzamide;4-methoxy-2-methylpyridine;molecular bromine;O-(oxan-2-yl)hydroxylamine?

bis(N-(2-aminophenyl)-4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);benzene-1,2-diamine;2-bromo-1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate;1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(oxan-2-yloxy)benzamide;4-methoxy-2-methylpyridine;molecular bromine;O-(oxan-2-yl)hydroxylamine has a molecular weight of 3564.05 g/mol, XLogP of 35.04, 42 rotatable bonds, 16 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-(2-aminophenyl)-4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);benzene-1,2-diamine;2-bromo-1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;ethyl 4-(carbamothioylamino)benzoate;ethyl 4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoate;1-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzoic acid;4-[[4-(7-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]-N-(oxan-2-yloxy)benzamide;4-methoxy-2-methylpyridine;molecular bromine;O-(oxan-2-yl)hydroxylamine is sourced from PubChem (CID 157121785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).