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

C98H93Cl3F30N18O12 — CID 160844896

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

[6-(4-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dimethylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde) (PubChem CID 160844896) has the molecular formula C98H93Cl3F30N18O12 and a molecular weight of 2391.23 g/mol. Its IUPAC name is [6-(4-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dimethylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde).

Molecular Properties

• Compound Name: [6-(4-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dimethylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde)
• PubChem CID: 160844896
• Molecular Formula: C98H93Cl3F30N18O12
• Molecular Weight: 2391.23 g/mol
• Exact Mass: 2388.58
• IUPAC Name: [6-(4-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dimethylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde)
• SMILES: Cc1cc(Cl)ccc1-c1cn2c(N3CCN(C)CC3)cnc2cc1CN.Cc1cc(Cl)ccc1-c1cn2c(N3CCNCC3)cnc2cc1CN.Cc1cc(Cl)ccc1-c1cn2c(N3CCOCC3)cnc2cc1CN.Cc1ccc(-c2cn3c(N4CCOCC4)cnc3cc2CN)c(C)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.C20H24N4O.C19H22ClN5.C19H21ClN4O.4C4F6O2.2C2HF3O/c1-14-9-16(21)3-4-17(14)18-13-26-19(10-15(18)11-22)23-12-20(26)25-7-5-24(2)6-8-25;1-14-3-4-17(15(2)9-14)18-13-24-19(10-16(18)11-21)22-12-20(24)23-5-7-25-8-6-23;1-13-8-15(20)2-3-16(13)17-12-25-18(9-14(17)10-21)23-11-19(25)24-6-4-22-5-7-24;1-13-8-15(20)2-3-16(13)17-12-24-18(9-14(17)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;3-4,9-10,12-13H,5-8,11,21H2,1-2H3;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: SIMYPZLGVUJVSE-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 390.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 16
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2391.23
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

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

The IUPAC name of [6-(4-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dimethylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde) (CID 160844896) is [6-(4-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dimethylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde).

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

The canonical SMILES for [6-(4-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dimethylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde) is Cc1cc(Cl)ccc1-c1cn2c(N3CCN(C)CC3)cnc2cc1CN.Cc1cc(Cl)ccc1-c1cn2c(N3CCNCC3)cnc2cc1CN.Cc1cc(Cl)ccc1-c1cn2c(N3CCOCC3)cnc2cc1CN.Cc1ccc(-c2cn3c(N4CCOCC4)cnc3cc2CN)c(C)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-(4-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dimethylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde)?

The InChIKey is SIMYPZLGVUJVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5.C20H24N4O.C19H22ClN5.C19H21ClN4O.4C4F6O2.2C2HF3O/c1-14-9-16(21)3-4-17(14)18-13-26-19(10-15(18)11-22)23-12-20(26)25-7-5-24(2)6-8-25;1-14-3-4-17(15(2)9-14)18-13-24-19(10-16(18)11-21)22-12-20(24)23-5-7-25-8-6-23;1-13-8-15(20)2-3-16(13)17-12-25-18(9-14(17)10-21)23-11-19(25)24-6-4-22-5-7-24;1-13-8-15(20)2-3-16(13)17-12-24-18(9-14(17)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;3-4,9-10,12-13H,5-8,11,21H2,1-2H3;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-(4-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dimethylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde)?

[6-(4-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dimethylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde) has a molecular weight of 2391.23 g/mol, XLogP of 18.67, 16 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(4-chloro-2-methylphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-7-yl]methanamine;[6-(2,4-dimethylphenyl)-3-morpholin-4-ylimidazo[1,2-a]pyridin-7-yl]methanamine;tetrakis(1,1,1,4,4,4-hexafluorobutane-2,3-dione);bis(2,2,2-trifluoroacetaldehyde) is sourced from PubChem (CID 160844896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).