N-(2-aminophenyl)-4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;(E)-1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;4-chloropyridin-2-amine;1,1-dimethoxy-N,N-dimethylmethanamine;2-(dimethylamino)ethanol;4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;methyl 4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate;methyl 4-(diaminomethylideneamino)benzoate

C129H148Cl5N33O16 — CID 157073550

About N-(2-aminophenyl)-4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;(E)-1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;4-chloropyridin-2-amine;1,1-dimethoxy-N,N-dimethylmethanamine;2-(dimethylamino)ethanol;4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;methyl 4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate;methyl 4-(diaminomethylideneamino)benzoate

N-(2-aminophenyl)-4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;(E)-1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;4-chloropyridin-2-amine;1,1-dimethoxy-N,N-dimethylmethanamine;2-(dimethylamino)ethanol;4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;methyl 4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate;methyl 4-(diaminomethylideneamino)benzoate (PubChem CID 157073550) has the molecular formula C129H148Cl5N33O16 and a molecular weight of 2594.08 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;(E)-1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;4-chloropyridin-2-amine;1,1-dimethoxy-N,N-dimethylmethanamine;2-(dimethylamino)ethanol;4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;methyl 4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate;methyl 4-(diaminomethylideneamino)benzoate.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;(E)-1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;4-chloropyridin-2-amine;1,1-dimethoxy-N,N-dimethylmethanamine;2-(dimethylamino)ethanol;4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;methyl 4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate;methyl 4-(diaminomethylideneamino)benzoate
• PubChem CID: 157073550
• Molecular Formula: C129H148Cl5N33O16
• Molecular Weight: 2594.08 g/mol
• Exact Mass: 2590.02
• IUPAC Name: N-(2-aminophenyl)-4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;(E)-1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;4-chloropyridin-2-amine;1,1-dimethoxy-N,N-dimethylmethanamine;2-(dimethylamino)ethanol;4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;methyl 4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate;methyl 4-(diaminomethylideneamino)benzoate
• SMILES: CC(=O)C(Cl)C(C)=O.CC(=O)c1c(C)nc2cc(Cl)ccn12.CN(C)CCO.COC(=O)c1ccc(N=C(N)N)cc1.COC(=O)c1ccc(Nc2nccc(-c3c(C)nc4cc(Cl)ccn34)n2)cc1.COC(OC)N(C)C.Cc1nc2cc(Cl)ccn2c1C(=O)/C=C/N(C)C.Cc1nc2cc(OCCN(C)C)ccn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.Cc1nc2cc(OCCN(C)C)ccn2c1-c1ccnc(Nc2ccc(C(=O)O)cc2)n1.Nc1cc(Cl)ccn1.Nc1ccccc1N
• InChI: InChI=1S/C29H30N8O2.C23H24N6O3.C20H16ClN5O2.C13H14ClN3O.C10H9ClN2O.C9H11N3O2.C6H8N2.C5H5ClN2.C5H7ClO2.C5H13NO2.C4H11NO/c1-19-27(37-15-13-22(18-26(37)32-19)39-17-16-36(2)3)25-12-14-31-29(35-25)33-21-10-8-20(9-11-21)28(38)34-24-7-5-4-6-23(24)30;1-15-21(29-11-9-18(14-20(29)25-15)32-13-12-28(2)3)19-8-10-24-23(27-19)26-17-6-4-16(5-7-17)22(30)31;1-12-18(26-10-8-14(21)11-17(26)23-12)16-7-9-22-20(25-16)24-15-5-3-13(4-6-15)19(27)28-2;1-9-13(11(18)5-6-16(2)3)17-7-4-10(14)8-12(17)15-9;1-6-10(7(2)14)13-4-3-8(11)5-9(13)12-6;1-14-8(13)6-2-4-7(5-3-6)12-9(10)11;7-5-3-1-2-4-6(5)8;6-4-1-2-8-5(7)3-4;1-3(7)5(6)4(2)8;1-6(2)5(7-3)8-4;1-5(2)3-4-6/h4-15,18H,16-17,30H2,1-3H3,(H,34,38)(H,31,33,35);4-11,14H,12-13H2,1-3H3,(H,30,31)(H,24,26,27);3-11H,1-2H3,(H,22,24,25);4-8H,1-3H3;3-5H,1-2H3;2-5H,1H3,(H4,10,11,12);1-4H,7-8H2;1-3H,(H2,7,8);5H,1-2H3;5H,1-4H3;6H,3-4H2,1-2H3/b;;;6-5+
• InChIKey: ACRZDVATONFKHH-YFQOPTEVSA-N
• XLogP: 20.42
• TPSA: 641.93 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 45
• Rotatable Bonds: 34
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2594.08
LogP ≤ 5	20.42
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	45

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;(E)-1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;4-chloropyridin-2-amine;1,1-dimethoxy-N,N-dimethylmethanamine;2-(dimethylamino)ethanol;4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;methyl 4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate;methyl 4-(diaminomethylideneamino)benzoate?

The IUPAC name of N-(2-aminophenyl)-4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;(E)-1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;4-chloropyridin-2-amine;1,1-dimethoxy-N,N-dimethylmethanamine;2-(dimethylamino)ethanol;4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;methyl 4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate;methyl 4-(diaminomethylideneamino)benzoate (CID 157073550) is N-(2-aminophenyl)-4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;(E)-1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;4-chloropyridin-2-amine;1,1-dimethoxy-N,N-dimethylmethanamine;2-(dimethylamino)ethanol;4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;methyl 4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate;methyl 4-(diaminomethylideneamino)benzoate.

What is the SMILES notation for N-(2-aminophenyl)-4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;(E)-1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;4-chloropyridin-2-amine;1,1-dimethoxy-N,N-dimethylmethanamine;2-(dimethylamino)ethanol;4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;methyl 4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate;methyl 4-(diaminomethylideneamino)benzoate?

The canonical SMILES for N-(2-aminophenyl)-4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;(E)-1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;4-chloropyridin-2-amine;1,1-dimethoxy-N,N-dimethylmethanamine;2-(dimethylamino)ethanol;4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;methyl 4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate;methyl 4-(diaminomethylideneamino)benzoate is CC(=O)C(Cl)C(C)=O.CC(=O)c1c(C)nc2cc(Cl)ccn12.CN(C)CCO.COC(=O)c1ccc(N=C(N)N)cc1.COC(=O)c1ccc(Nc2nccc(-c3c(C)nc4cc(Cl)ccn34)n2)cc1.COC(OC)N(C)C.Cc1nc2cc(Cl)ccn2c1C(=O)/C=C/N(C)C.Cc1nc2cc(OCCN(C)C)ccn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)n1.Cc1nc2cc(OCCN(C)C)ccn2c1-c1ccnc(Nc2ccc(C(=O)O)cc2)n1.Nc1cc(Cl)ccn1.Nc1ccccc1N.

What is the InChIKey of N-(2-aminophenyl)-4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;(E)-1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;4-chloropyridin-2-amine;1,1-dimethoxy-N,N-dimethylmethanamine;2-(dimethylamino)ethanol;4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;methyl 4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate;methyl 4-(diaminomethylideneamino)benzoate?

The InChIKey is ACRZDVATONFKHH-YFQOPTEVSA-N. The full InChI is InChI=1S/C29H30N8O2.C23H24N6O3.C20H16ClN5O2.C13H14ClN3O.C10H9ClN2O.C9H11N3O2.C6H8N2.C5H5ClN2.C5H7ClO2.C5H13NO2.C4H11NO/c1-19-27(37-15-13-22(18-26(37)32-19)39-17-16-36(2)3)25-12-14-31-29(35-25)33-21-10-8-20(9-11-21)28(38)34-24-7-5-4-6-23(24)30;1-15-21(29-11-9-18(14-20(29)25-15)32-13-12-28(2)3)19-8-10-24-23(27-19)26-17-6-4-16(5-7-17)22(30)31;1-12-18(26-10-8-14(21)11-17(26)23-12)16-7-9-22-20(25-16)24-15-5-3-13(4-6-15)19(27)28-2;1-9-13(11(18)5-6-16(2)3)17-7-4-10(14)8-12(17)15-9;1-6-10(7(2)14)13-4-3-8(11)5-9(13)12-6;1-14-8(13)6-2-4-7(5-3-6)12-9(10)11;7-5-3-1-2-4-6(5)8;6-4-1-2-8-5(7)3-4;1-3(7)5(6)4(2)8;1-6(2)5(7-3)8-4;1-5(2)3-4-6/h4-15,18H,16-17,30H2,1-3H3,(H,34,38)(H,31,33,35);4-11,14H,12-13H2,1-3H3,(H,30,31)(H,24,26,27);3-11H,1-2H3,(H,22,24,25);4-8H,1-3H3;3-5H,1-2H3;2-5H,1H3,(H4,10,11,12);1-4H,7-8H2;1-3H,(H2,7,8);5H,1-2H3;5H,1-4H3;6H,3-4H2,1-2H3/b;;;6-5+;;;;;;;.

What are the key properties of N-(2-aminophenyl)-4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;(E)-1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;4-chloropyridin-2-amine;1,1-dimethoxy-N,N-dimethylmethanamine;2-(dimethylamino)ethanol;4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;methyl 4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate;methyl 4-(diaminomethylideneamino)benzoate?

N-(2-aminophenyl)-4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;(E)-1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;4-chloropyridin-2-amine;1,1-dimethoxy-N,N-dimethylmethanamine;2-(dimethylamino)ethanol;4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;methyl 4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate;methyl 4-(diaminomethylideneamino)benzoate has a molecular weight of 2594.08 g/mol, XLogP of 20.42, 34 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;(E)-1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-3-(dimethylamino)prop-2-en-1-one;1-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone;3-chloropentane-2,4-dione;4-chloropyridin-2-amine;1,1-dimethoxy-N,N-dimethylmethanamine;2-(dimethylamino)ethanol;4-[[4-[7-[2-(dimethylamino)ethoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;methyl 4-[[4-(7-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]benzoate;methyl 4-(diaminomethylideneamino)benzoate is sourced from PubChem (CID 157073550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).