About 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one
7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one (PubChem CID 145057435) has the molecular formula C32H26N6O3
and a molecular weight of 542.60 g/mol. Its IUPAC name is 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one.
Molecular Properties
| Compound Name | 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one |
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| PubChem CID | 145057435 |
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| Molecular Formula | C32H26N6O3 |
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| Molecular Weight | 542.60 g/mol |
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| Exact Mass | 542.21 |
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| IUPAC Name | 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one |
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| SMILES | CCc1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1ccccc1.NC(=O)c1c(N)ncc2cccnc12 |
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| InChI | InChI=1S/C23H18N2O2.C9H8N4O/c1-3-19-21(17-8-5-4-6-9-17)23(26)22-18(10-7-11-20(22)27-19)13-12-16-14-24-25(2)15-16;10-8-6(9(11)14)7-5(4-13-8)2-1-3-12-7/h4-11,14-15H,3H2,1-2H3;1-4H,(H2,10,13)(H2,11,14) |
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| InChIKey | OBBBPOHEOBDOTC-UHFFFAOYSA-N |
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| XLogP | 4.47 |
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| TPSA | 142.92 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 542.60 |
| LogP ≤ 5 | 4.47 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one?
The IUPAC name of 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one (CID 145057435) is 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one.
What is the SMILES notation for 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one?
The canonical SMILES for 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one is CCc1oc2cccc(C#Cc3cnn(C)c3)c2c(=O)c1-c1ccccc1.NC(=O)c1c(N)ncc2cccnc12.
What is the InChIKey of 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one?
The InChIKey is OBBBPOHEOBDOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2.C9H8N4O/c1-3-19-21(17-8-5-4-6-9-17)23(26)22-18(10-7-11-20(22)27-19)13-12-16-14-24-25(2)15-16;10-8-6(9(11)14)7-5(4-13-8)2-1-3-12-7/h4-11,14-15H,3H2,1-2H3;1-4H,(H2,10,13)(H2,11,14).
What are the key properties of 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one?
7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one has a molecular weight of 542.60 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1,6-naphthyridine-8-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylchromen-4-one is sourced from PubChem (CID 145057435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).