About [4-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-(3-methoxypyrrolidin-1-yl)methanone
[4-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 155267232) has the molecular formula C26H29ClN8O2
and a molecular weight of 521.03 g/mol. Its IUPAC name is [4-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-(3-methoxypyrrolidin-1-yl)methanone.
Molecular Properties
| Compound Name | [4-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-(3-methoxypyrrolidin-1-yl)methanone |
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| PubChem CID | 155267232 |
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| Molecular Formula | C26H29ClN8O2 |
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| Molecular Weight | 521.03 g/mol |
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| Exact Mass | 520.21 |
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| IUPAC Name | [4-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-(3-methoxypyrrolidin-1-yl)methanone |
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| SMILES | COC1CCN(C(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(Cl)c45)cn3)CC2)C1 |
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| InChI | InChI=1S/C26H29ClN8O2/c1-31-15-20(13-29-31)19-11-22(25-23(27)14-30-35(25)16-19)18-3-4-24(28-12-18)32-7-9-33(10-8-32)26(36)34-6-5-21(17-34)37-2/h3-4,11-16,21H,5-10,17H2,1-2H3 |
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| InChIKey | CYGQXYCHCIFFIA-UHFFFAOYSA-N |
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| XLogP | 3.41 |
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| TPSA | 84.03 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 521.03 |
| LogP ≤ 5 | 3.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze [4-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-(3-methoxypyrrolidin-1-yl)methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [4-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of [4-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-(3-methoxypyrrolidin-1-yl)methanone (CID 155267232) is [4-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for [4-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)N2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(Cl)c45)cn3)CC2)C1.
What is the InChIKey of [4-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is CYGQXYCHCIFFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN8O2/c1-31-15-20(13-29-31)19-11-22(25-23(27)14-30-35(25)16-19)18-3-4-24(28-12-18)32-7-9-33(10-8-32)26(36)34-6-5-21(17-34)37-2/h3-4,11-16,21H,5-10,17H2,1-2H3.
What are the key properties of [4-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-(3-methoxypyrrolidin-1-yl)methanone?
[4-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 521.03 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[3-chloro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 155267232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).