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 |
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| PubChem CID | 44612757 |
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| Molecular Formula | C32H32N8O2 |
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| Molecular Weight | 560.66 g/mol |
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| Exact Mass | 560.26 |
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| 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 |
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| SMILES | Cc1nc2ccc(C(=O)N3CCN(C)CC3)cn2c1-c1ccnc(Nc2ccc(C(=O)Nc3ccccc3N)cc2)c1 |
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| 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) |
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| InChIKey | ZIKQQFUDQBTFAU-UHFFFAOYSA-N |
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| XLogP | 4.67 |
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| TPSA | 120.89 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| 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'} |
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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).