About N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide
N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide (PubChem CID 87541098) has the molecular formula C69H60N12O6
and a molecular weight of 1153.32 g/mol. Its IUPAC name is N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide.
Molecular Properties
| Compound Name | N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide |
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| PubChem CID | 87541098 |
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| Molecular Formula | C69H60N12O6 |
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| Molecular Weight | 1153.32 g/mol |
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| Exact Mass | 1152.48 |
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| IUPAC Name | N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide |
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| SMILES | COc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc12.Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2cc3ccccc3n2)cc1 |
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| InChI | InChI=1S/C25H20N4O2.2C22H20N4O2/c26-21-12-11-19(24-6-3-13-31-24)14-23(21)27-25(30)18-9-7-17(8-10-18)15-29-16-20-4-1-2-5-22(20)28-29;1-28-22-17-6-2-5-9-20(17)26(25-22)14-15-10-12-16(13-11-15)21(27)24-19-8-4-3-7-18(19)23;1-28-22-17-6-2-4-8-19(17)25-26(22)14-15-10-12-16(13-11-15)21(27)24-20-9-5-3-7-18(20)23/h1-14,16H,15,26H2,(H,27,30);2*2-13H,14,23H2,1H3,(H,24,27) |
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| InChIKey | DNNVVDLTEWZDOG-UHFFFAOYSA-N |
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| XLogP | 13.03 |
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| TPSA | 250.42 Ų |
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| H-Bond Donors | 6 |
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| H-Bond Acceptors | 15 |
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| Rotatable Bonds | 15 |
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| Heavy Atoms | 87 |
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| Complexity | — |
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Lipinski Rule of Five
4 violations
| Rule | Value |
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| MW ≤ 500 | 1153.32 |
| LogP ≤ 5 | 13.03 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 15 |
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-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide?
The IUPAC name of N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide (CID 87541098) is N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide?
The canonical SMILES for N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide is COc1c2ccccc2nn1Cc1ccc(C(=O)Nc2ccccc2N)cc1.COc1nn(Cc2ccc(C(=O)Nc3ccccc3N)cc2)c2ccccc12.Nc1ccc(-c2ccco2)cc1NC(=O)c1ccc(Cn2cc3ccccc3n2)cc1.
What is the InChIKey of N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide?
The InChIKey is DNNVVDLTEWZDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2.2C22H20N4O2/c26-21-12-11-19(24-6-3-13-31-24)14-23(21)27-25(30)18-9-7-17(8-10-18)15-29-16-20-4-1-2-5-22(20)28-29;1-28-22-17-6-2-5-9-20(17)26(25-22)14-15-10-12-16(13-11-15)21(27)24-19-8-4-3-7-18(19)23;1-28-22-17-6-2-4-8-19(17)25-26(22)14-15-10-12-16(13-11-15)21(27)24-20-9-5-3-7-18(20)23/h1-14,16H,15,26H2,(H,27,30);2*2-13H,14,23H2,1H3,(H,24,27).
What are the key properties of N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide?
N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide has a molecular weight of 1153.32 g/mol, XLogP of 13.03, 15 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(furan-2-yl)phenyl]-4-(indazol-2-ylmethyl)benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-1-yl)methyl]benzamide;N-(2-aminophenyl)-4-[(3-methoxyindazol-2-yl)methyl]benzamide is sourced from PubChem (CID 87541098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).