N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;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

C55H58N12O4 — CID 158625682

About N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;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

N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;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 (PubChem CID 158625682) has the molecular formula C55H58N12O4 and a molecular weight of 951.15 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;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.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;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
• PubChem CID: 158625682
• Molecular Formula: C55H58N12O4
• Molecular Weight: 951.15 g/mol
• Exact Mass: 950.47
• IUPAC Name: N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;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
• SMILES: CCN(C)CCN(CC)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.CN(C)CCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
• InChI: InChI=1S/C29H32N6O2.C26H26N6O2/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;1-31(2)13-11-28-25(33)17-3-6-20(7-4-17)30-22-9-10-23(32-14-12-27-24(22)32)18-5-8-21-19(15-18)16-29-26(21)34/h6-15,18,32H,4-5,16-17,19H2,1-3H3,(H,31,36);3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,28,33)(H,29,34)
• InChIKey: HYOICVSNNBQFKZ-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 172.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	951.15
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;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?

The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;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 (CID 158625682) is N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;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.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;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?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;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 is CCN(C)CCN(CC)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.CN(C)CCNC(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;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?

The InChIKey is HYOICVSNNBQFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2.C26H26N6O2/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;1-31(2)13-11-28-25(33)17-3-6-20(7-4-17)30-22-9-10-23(32-14-12-27-24(22)32)18-5-8-21-19(15-18)16-29-26(21)34/h6-15,18,32H,4-5,16-17,19H2,1-3H3,(H,31,36);3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,28,33)(H,29,34).

What are the key properties of N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;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?

N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;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 has a molecular weight of 951.15 g/mol, XLogP of 7.68, 16 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;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 is sourced from PubChem (CID 158625682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).