About (Z)-3-(2-chlorophenyl)-2-[[[2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]prop-2-enenitrile
(Z)-3-(2-chlorophenyl)-2-[[[2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]prop-2-enenitrile (PubChem CID 102035592) has the molecular formula C23H16ClN5O2
and a molecular weight of 429.87 g/mol. Its IUPAC name is (Z)-3-(2-chlorophenyl)-2-[[[2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]prop-2-enenitrile.
Molecular Properties
| Compound Name | (Z)-3-(2-chlorophenyl)-2-[[[2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]prop-2-enenitrile |
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| PubChem CID | 102035592 |
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| Molecular Formula | C23H16ClN5O2 |
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| Molecular Weight | 429.87 g/mol |
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| Exact Mass | 429.10 |
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| IUPAC Name | (Z)-3-(2-chlorophenyl)-2-[[[2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]prop-2-enenitrile |
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| SMILES | N#C/C(=C\c1ccccc1Cl)CNc1c(-c2ccccc2[N+](=O)[O-])nc2ccccn12 |
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| InChI | InChI=1S/C23H16ClN5O2/c24-19-9-3-1-7-17(19)13-16(14-25)15-26-23-22(27-21-11-5-6-12-28(21)23)18-8-2-4-10-20(18)29(30)31/h1-13,26H,15H2/b16-13+ |
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| InChIKey | LFIYGNJLCSNGBW-DTQAZKPQSA-N |
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| XLogP | 5.58 |
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| TPSA | 96.26 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 429.87 |
| LogP ≤ 5 | 5.58 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (Z)-3-(2-chlorophenyl)-2-[[[2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]prop-2-enenitrile?
The IUPAC name of (Z)-3-(2-chlorophenyl)-2-[[[2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]prop-2-enenitrile (CID 102035592) is (Z)-3-(2-chlorophenyl)-2-[[[2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(2-chlorophenyl)-2-[[[2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-(2-chlorophenyl)-2-[[[2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]prop-2-enenitrile is N#C/C(=C\c1ccccc1Cl)CNc1c(-c2ccccc2[N+](=O)[O-])nc2ccccn12.
What is the InChIKey of (Z)-3-(2-chlorophenyl)-2-[[[2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]prop-2-enenitrile?
The InChIKey is LFIYGNJLCSNGBW-DTQAZKPQSA-N. The full InChI is InChI=1S/C23H16ClN5O2/c24-19-9-3-1-7-17(19)13-16(14-25)15-26-23-22(27-21-11-5-6-12-28(21)23)18-8-2-4-10-20(18)29(30)31/h1-13,26H,15H2/b16-13+.
What are the key properties of (Z)-3-(2-chlorophenyl)-2-[[[2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]prop-2-enenitrile?
(Z)-3-(2-chlorophenyl)-2-[[[2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]prop-2-enenitrile has a molecular weight of 429.87 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chlorophenyl)-2-[[[2-(2-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]prop-2-enenitrile is sourced from PubChem (CID 102035592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).