N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzamide

C32H32N8O2 — CID 44612757

About N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzamide

N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzamide (PubChem CID 44612757) has the molecular formula C32H32N8O2 and a molecular weight of 560.66 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzamide.

Molecular Properties

• Compound Name: N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzamide
• PubChem CID: 44612757
• Molecular Formula: C32H32N8O2
• Molecular Weight: 560.66 g/mol
• Exact Mass: 560.26
• IUPAC Name: N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzamide
• SMILES: Cc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)c1
• InChI: InChI=1S/C32H32N8O2/c1-21-30(40-20-24(9-12-29(40)35-21)32(42)39-17-15-38(2)16-18-39)23-13-14-34-28(19-23)36-25-10-7-22(8-11-25)31(41)37-27-6-4-3-5-26(27)33/h3-14,19-20H,15-18,33H2,1-2H3,(H,34,36)(H,37,41)
• InChIKey: ZIKQQFUDQBTFAU-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 120.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.66
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzamide?

The IUPAC name of N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzamide (CID 44612757) is N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzamide.

What is the SMILES notation for N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzamide?

The canonical SMILES for N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzamide is Cc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)c1.

What is the InChIKey of N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzamide?

The InChIKey is ZIKQQFUDQBTFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N8O2/c1-21-30(40-20-24(9-12-29(40)35-21)32(42)39-17-15-38(2)16-18-39)23-13-14-34-28(19-23)36-25-10-7-22(8-11-25)31(41)37-27-6-4-3-5-26(27)33/h3-14,19-20H,15-18,33H2,1-2H3,(H,34,36)(H,37,41).

What are the key properties of N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzamide?

N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzamide has a molecular weight of 560.66 g/mol, XLogP of 4.67, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminophenyl)-4-[[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]benzamide is sourced from PubChem (CID 44612757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).