[6-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde)

C97H89Cl5F30N18O13 — CID 160545390

About [6-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde)

[6-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde) (PubChem CID 160545390) has the molecular formula C97H89Cl5F30N18O13 and a molecular weight of 2462.10 g/mol. Its IUPAC name is [6-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde).

Molecular Properties

• Compound Name: [6-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde)
• PubChem CID: 160545390
• Molecular Formula: C97H89Cl5F30N18O13
• Molecular Weight: 2462.10 g/mol
• Exact Mass: 2458.48
• IUPAC Name: [6-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde)
• SMILES: CCOC(=O)CN(C)c1cnc2cc(CN)c(-c3ccc(Cl)cc3Cl)cn12.Cc1ccc(-c2cn3c(N4CCN(C)CC4)cnc3cc2CN)c(Cl)c1.Cc1ccc(-c2cn3c(N4CCNCC4)cnc3cc2CN)c(Cl)c1.Cc1ccc(-c2cn3c(N4CCOCC4)cnc3cc2CN)c(Cl)c1.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F
• InChI: InChI=1S/C20H24ClN5.C19H20Cl2N4O2.C19H22ClN5.C19H21ClN4O.4C4F6O2.2C2HF3O/c1-14-3-4-16(18(21)9-14)17-13-26-19(10-15(17)11-22)23-12-20(26)25-7-5-24(2)6-8-25;1-3-27-19(26)11-24(2)18-9-23-17-6-12(8-22)15(10-25(17)18)14-5-4-13(20)7-16(14)21;1-13-2-3-15(17(20)8-13)16-12-25-18(9-14(16)10-21)23-11-19(25)24-6-4-22-5-7-24;1-13-2-3-15(17(20)8-13)16-12-24-18(9-14(16)10-21)22-11-19(24)23-4-6-25-7-5-23;4*5-3(6,7)1(11)2(12)4(8,9)10;2*3-2(4,5)1-6/h3-4,9-10,12-13H,5-8,11,22H2,1-2H3;4-7,9-10H,3,8,11,22H2,1-2H3;2-3,8-9,11-12,22H,4-7,10,21H2,1H3;2-3,8-9,11-12H,4-7,10,21H2,1H3;;;;;2*1H
• InChIKey: QXIYPXRRLVYJPB-UHFFFAOYSA-N
• XLogP: 19.52
• TPSA: 407.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2462.10
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde)?

The IUPAC name of [6-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde) (CID 160545390) is [6-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde).

What is the SMILES notation for [6-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde)?

The canonical SMILES for [6-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde) is CCOC(=O)CN(C)c1cnc2cc(CN)c(-c3ccc(Cl)cc3Cl)cn12.Cc1ccc(-c2cn3c(N4CCN(C)CC4)cnc3cc2CN)c(Cl)c1.Cc1ccc(-c2cn3c(N4CCNCC4)cnc3cc2CN)c(Cl)c1.Cc1ccc(-c2cn3c(N4CCOCC4)cnc3cc2CN)c(Cl)c1.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=C(C(=O)C(F)(F)F)C(F)(F)F.O=CC(F)(F)F.O=CC(F)(F)F.

What is the InChIKey of [6-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde)?

The InChIKey is QXIYPXRRLVYJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5.C19H20Cl2N4O2.C19H22ClN5.C19H21ClN4O.4C4F6O2.2C2HF3O/c1-14-3-4-16(18(21)9-14)17-13-26-19(10-15(17)11-22)23-12-20(26)25-7-5-24(2)6-8-25;1-3-27-19(26)11-24(2)18-9-23-17-6-12(8-22)15(10-25(17)18)14-5-4-13(20)7-16(14)21;1-13-2-3-15(17(20)8-13)16-12-25-18(9-14(16)10-21)23-11-19(25)24-6-4-22-5-7-24;1-13-2-3-15(17(20)8-13)16-12-24-18(9-14(16)10-21)22-11-19(24)23-4-6-25-7-5-23;4*5-3(6,7)1(11)2(12)4(8,9)10;2*3-2(4,5)1-6/h3-4,9-10,12-13H,5-8,11,22H2,1-2H3;4-7,9-10H,3,8,11,22H2,1-2H3;2-3,8-9,11-12,22H,4-7,10,21H2,1H3;2-3,8-9,11-12H,4-7,10,21H2,1H3;;;;;2*1H.

What are the key properties of [6-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde)?

[6-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde) has a molecular weight of 2462.10 g/mol, XLogP of 19.52, 19 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2-chloro-4-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2-chloro-4-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;ethyl 2-[[7-(aminomethyl)-6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-methylamino]acetate;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde) is sourced from PubChem (CID 160545390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).