HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 117911045Generated: October 29, 2026
tert-butyl-N-{1-[(4-{1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl}-6-[2-(1-methyl-1H-indazol-5-yl)ethynyl]pyridin-2-yl)carbamoyl]ethyl}-N-methylcarbamate
https://huagongshe.com/en/chemical/117911045
Identifiers & Physical Properties
| Molecular formula | C31H33N9O3 |
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| Average molar mass | 579.7 g/mol |
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| Monoisotopic mass | 579.27063595 g/mol |
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| SMILES | Cc1nn(C)c2c(-c3cc(C#Cc4ccc5c(cnn5C)c4)nc(NC(=O)C(C)N(C)C(=O)OC(C)(C)C)c3)ncnc12 |
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| InChIKey | HKTAWLKJDPMIAY-UHFFFAOYSA-N |
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| PubChem CID | 117911045 |
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Chemical & Physical Properties
| XLogP | 3.5 |
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| Topological polar surface area | 133 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 43 |
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| Formal charge | 0 |
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| Complexity | 1,090 |
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![tert-butyl-N-{1-[(4-{1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl}-6-[2-(1-methyl-1H-indazol-5-yl)ethynyl]pyridin-2-yl)carbamoyl]ethyl}-N-methylcarbamate molecular structure](/img/chemical/117911045.png)