4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone

C84H92N14O5 — CID 160815480

About 4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone

4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone (PubChem CID 160815480) has the molecular formula C84H92N14O5 and a molecular weight of 1377.75 g/mol. Its IUPAC name is 4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone
• PubChem CID: 160815480
• Molecular Formula: C84H92N14O5
• Molecular Weight: 1377.75 g/mol
• Exact Mass: 1376.74
• IUPAC Name: 4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone
• SMILES: CC(=O)c1cc(C)cc(-c2ccc(Cc3ccc(N4CCOCC4)cc3)c3nccn23)c1.CCN(C)CCN(CC)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.CCN1CC(C)N(c2ccc(Cc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2C)CC1C
• InChI: InChI=1S/C29H32N6O2.C28H33N5O.C27H27N3O2/c1-4-33(3)16-17-34(5-2)29(37)20-6-9-23(10-7-20)32-25-12-13-26(35-15-14-30-27(25)35)21-8-11-24-22(18-21)19-31-28(24)36;1-5-31-17-21(4)33(18-20(31)3)25-8-6-22(14-19(25)2)15-24-7-9-26(32-13-12-30-28(24)32)23-10-11-29-27(34)16-23;1-19-15-23(20(2)31)18-24(16-19)26-8-5-22(27-28-9-10-30(26)27)17-21-3-6-25(7-4-21)29-11-13-32-14-12-29/h6-15,18,32H,4-5,16-17,19H2,1-3H3,(H,31,36);6-14,16,20-21H,5,15,17-18H2,1-4H3,(H,29,34);3-10,15-16,18H,11-14,17H2,1-2H3
• InChIKey: SEVQBDMEMXUIQV-UHFFFAOYSA-N
• XLogP: 13.85
• TPSA: 185.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1377.75
LogP ≤ 5	13.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?

The IUPAC name of 4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone (CID 160815480) is 4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone.

What is the SMILES notation for 4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?

The canonical SMILES for 4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone is CC(=O)c1cc(C)cc(-c2ccc(Cc3ccc(N4CCOCC4)cc3)c3nccn23)c1.CCN(C)CCN(CC)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.CCN1CC(C)N(c2ccc(Cc3ccc(-c4cc[nH]c(=O)c4)n4ccnc34)cc2C)CC1C.

What is the InChIKey of 4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?

The InChIKey is SEVQBDMEMXUIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2.C28H33N5O.C27H27N3O2/c1-4-33(3)16-17-34(5-2)29(37)20-6-9-23(10-7-20)32-25-12-13-26(35-15-14-30-27(25)35)21-8-11-24-22(18-21)19-31-28(24)36;1-5-31-17-21(4)33(18-20(31)3)25-8-6-22(14-19(25)2)15-24-7-9-26(32-13-12-30-28(24)32)23-10-11-29-27(34)16-23;1-19-15-23(20(2)31)18-24(16-19)26-8-5-22(27-28-9-10-30(26)27)17-21-3-6-25(7-4-21)29-11-13-32-14-12-29/h6-15,18,32H,4-5,16-17,19H2,1-3H3,(H,31,36);6-14,16,20-21H,5,15,17-18H2,1-4H3,(H,29,34);3-10,15-16,18H,11-14,17H2,1-2H3.

What are the key properties of 4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?

4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone has a molecular weight of 1377.75 g/mol, XLogP of 13.85, 19 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[[4-(4-ethyl-2,5-dimethylpiperazin-1-yl)-3-methylphenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[3-methyl-5-[8-[(4-morpholin-4-ylphenyl)methyl]imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone is sourced from PubChem (CID 160815480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).