About [6-[6-(triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone
[6-[6-(triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone (PubChem CID 118707123) has the molecular formula C29H17N9O2
and a molecular weight of 523.52 g/mol. Its IUPAC name is [6-[6-(triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone.
Molecular Properties
| Compound Name | [6-[6-(triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone |
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| PubChem CID | 118707123 |
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| Molecular Formula | C29H17N9O2 |
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| Molecular Weight | 523.52 g/mol |
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| Exact Mass | 523.15 |
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| IUPAC Name | [6-[6-(triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone |
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| SMILES | O=C(c1cccc(C(=O)c2cccc(-c3nnn4ccccc34)n2)n1)c1cccc(-c2nnn3ccccc23)n1 |
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| InChI | InChI=1S/C29H17N9O2/c39-28(20-10-5-8-18(30-20)26-24-14-1-3-16-37(24)35-33-26)22-12-7-13-23(32-22)29(40)21-11-6-9-19(31-21)27-25-15-2-4-17-38(25)36-34-27/h1-17H |
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| InChIKey | PAQLXCXKOCDIIW-UHFFFAOYSA-N |
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| XLogP | 3.75 |
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| TPSA | 133.19 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 523.52 |
| LogP ≤ 5 | 3.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze [6-[6-(triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [6-[6-(triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone?
The IUPAC name of [6-[6-(triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone (CID 118707123) is [6-[6-(triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [6-[6-(triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone?
The canonical SMILES for [6-[6-(triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone is O=C(c1cccc(C(=O)c2cccc(-c3nnn4ccccc34)n2)n1)c1cccc(-c2nnn3ccccc23)n1.
What is the InChIKey of [6-[6-(triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone?
The InChIKey is PAQLXCXKOCDIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17N9O2/c39-28(20-10-5-8-18(30-20)26-24-14-1-3-16-37(24)35-33-26)22-12-7-13-23(32-22)29(40)21-11-6-9-19(31-21)27-25-15-2-4-17-38(25)36-34-27/h1-17H.
What are the key properties of [6-[6-(triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone?
[6-[6-(triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone has a molecular weight of 523.52 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-(triazolo[1,5-a]pyridin-3-yl)pyridine-2-carbonyl]-2-pyridinyl]-[6-(triazolo[1,5-a]pyridin-3-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 118707123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).