Azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)
C76H70ClN23O9Y2-2 — CID 158959054
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACazanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)
SMILESCC.CC.CC.CC.Nc1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)n1.O=[N+]([O-])c1cccc(-c2nc3ccccn3c2-c2ccnc(Cl)n2)c1.O=c1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)[nH]1.[NH-]c1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)n1.[NH2-].[Y].[Y]
InChIInChI=1S/C17H10ClN5O2.C17H12N6O2.C17H11N6O2.C17H11N5O3.4C2H6.H2N.2Y/c3*18-17-19-8-7-13(20-17)16-15(21-14-6-1-2-9-22(14)16)11-4-3-5-12(10-11)23(24)25;23-17-18-8-7-13(19-17)16-15(20-14-6-1-2-9-21(14)16)11-4-3-5-12(10-11)22(24)25;4*1-2;;;/h1-10H;1-10H,(H2,18,19,20);1-10H,(H-,18,19,20);1-10H,(H,18,19,23);4*1-2H3;1H2;;/q;;-1;;;;;;-1;;
InChIKeyLUZJJVCKPBXVIF-UHFFFAOYSA-N
MW1662.81 g/mol
LogP18.50
Rot. Bonds12
About Azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)
Azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium) (PubChem CID 158959054) has the molecular formula C76H70ClN23O9Y2-2 and a molecular weight of 1662.81 g/mol. Its IUPAC name is azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium).
Molecular Properties
| Compound Name | Azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium) |
|---|---|
| PubChem CID | 158959054 |
| Molecular Formula | C76H70ClN23O9Y2-2 |
| Molecular Weight | 1662.81 g/mol |
| Exact Mass | 1661.35 |
| IUPAC Name | azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium) |
| SMILES | CC.CC.CC.CC.Nc1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)n1.O=[N+]([O-])c1cccc(-c2nc3ccccn3c2-c2ccnc(Cl)n2)c1.O=c1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)[nH]1.[NH-]c1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)n1.[NH2-].[Y].[Y] |
| InChI | InChI=1S/C17H10ClN5O2.C17H12N6O2.C17H11N6O2.C17H11N5O3.4C2H6.H2N.2Y/c3*18-17-19-8-7-13(20-17)16-15(21-14-6-1-2-9-22(14)16)11-4-3-5-12(10-11)23(24)25;23-17-18-8-7-13(19-17)16-15(20-14-6-1-2-9-21(14)16)11-4-3-5-12(10-11)22(24)25;4*1-2;;;/h1-10H;1-10H,(H2,18,19,20);1-10H,(H-,18,19,20);1-10H,(H,18,19,23);4*1-2H3;1H2;;/q;;-1;;;;;;-1;; |
| InChIKey | LUZJJVCKPBXVIF-UHFFFAOYSA-N |
| XLogP | 18.50 |
| TPSA | 448.17 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 111 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1662.81 |
| LogP ≤ 5 | 18.50 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 25 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of Azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)?
The IUPAC name of Azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium) (CID 158959054) is azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium).
What is the SMILES notation for Azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)?
The canonical SMILES for Azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium) is CC.CC.CC.CC.Nc1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)n1.O=[N+]([O-])c1cccc(-c2nc3ccccn3c2-c2ccnc(Cl)n2)c1.O=c1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)[nH]1.[NH-]c1nccc(-c2c(-c3cccc([N+](=O)[O-])c3)nc3ccccn23)n1.[NH2-].[Y].[Y].
What is the InChIKey of Azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)?
The InChIKey is LUZJJVCKPBXVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN5O2.C17H12N6O2.C17H11N6O2.C17H11N5O3.4C2H6.H2N.2Y/c3*18-17-19-8-7-13(20-17)16-15(21-14-6-1-2-9-22(14)16)11-4-3-5-12(10-11)23(24)25;23-17-18-8-7-13(19-17)16-15(20-14-6-1-2-9-21(14)16)11-4-3-5-12(10-11)22(24)25;4*1-2;;;/h1-10H;1-10H,(H2,18,19,20);1-10H,(H-,18,19,20);1-10H,(H,18,19,23);4*1-2H3;1H2;;/q;;-1;;;;;;-1;;.
What are the key properties of Azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium)?
Azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium) has a molecular weight of 1662.81 g/mol, XLogP of 18.50, 12 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for Azanide;3-(2-chloropyrimidin-4-yl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine;ethane;4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;6-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-1H-pyrimidin-2-one;[4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]azanide;bis(yttrium) is sourced from PubChem (CID 158959054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158959054 — identifiers, structure, computed properties (public domain)
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