[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate

C64H69Cl4N13O8S — CID 159992322

About [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate

[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate (PubChem CID 159992322) has the molecular formula C64H69Cl4N13O8S and a molecular weight of 1322.22 g/mol. Its IUPAC name is [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate
• PubChem CID: 159992322
• Molecular Formula: C64H69Cl4N13O8S
• Molecular Weight: 1322.22 g/mol
• Exact Mass: 1319.39
• IUPAC Name: [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate
• SMILES: CCOC(=O)N1CCCC(N(C)C(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)C1.Cc1ccc(-c2cn3c(C(=O)N4CCOCC4)cnc3cc2CN)c(C)c1.NCc1cc2ncc(C(=O)N3CCS(=O)(=O)CC3)n2cc1-c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C24H27Cl2N5O3.C21H24N4O2.C19H18Cl2N4O3S/c1-3-34-24(33)30-8-4-5-17(13-30)29(2)23(32)21-12-28-22-9-15(11-27)19(14-31(21)22)18-7-6-16(25)10-20(18)26;1-14-3-4-17(15(2)9-14)18-13-25-19(12-23-20(25)10-16(18)11-22)21(26)24-5-7-27-8-6-24;20-13-1-2-14(16(21)8-13)15-11-25-17(10-23-18(25)7-12(15)9-22)19(26)24-3-5-29(27,28)6-4-24/h6-7,9-10,12,14,17H,3-5,8,11,13,27H2,1-2H3;3-4,9-10,12-13H,5-8,11,22H2,1-2H3;1-2,7-8,10-11H,3-6,9,22H2
• InChIKey: OHCJSJXFNHAWKW-UHFFFAOYSA-N
• XLogP: 9.65
• TPSA: 263.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1322.22
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate?

The IUPAC name of [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate (CID 159992322) is [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate.

What is the SMILES notation for [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate?

The canonical SMILES for [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCCC(N(C)C(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)C1.Cc1ccc(-c2cn3c(C(=O)N4CCOCC4)cnc3cc2CN)c(C)c1.NCc1cc2ncc(C(=O)N3CCS(=O)(=O)CC3)n2cc1-c1ccc(Cl)cc1Cl.

What is the InChIKey of [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate?

The InChIKey is OHCJSJXFNHAWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O3.C21H24N4O2.C19H18Cl2N4O3S/c1-3-34-24(33)30-8-4-5-17(13-30)29(2)23(32)21-12-28-22-9-15(11-27)19(14-31(21)22)18-7-6-16(25)10-20(18)26;1-14-3-4-17(15(2)9-14)18-13-25-19(12-23-20(25)10-16(18)11-22)21(26)24-5-7-27-8-6-24;20-13-1-2-14(16(21)8-13)15-11-25-17(10-23-18(25)7-12(15)9-22)19(26)24-3-5-29(27,28)6-4-24/h6-7,9-10,12,14,17H,3-5,8,11,13,27H2,1-2H3;3-4,9-10,12-13H,5-8,11,22H2,1-2H3;1-2,7-8,10-11H,3-6,9,22H2.

What are the key properties of [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate?

[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate has a molecular weight of 1322.22 g/mol, XLogP of 9.65, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone;[7-(aminomethyl)-6-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]-morpholin-4-ylmethanone;ethyl 3-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-3-carbonyl]-methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 159992322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).