About N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134338463) has the molecular formula C27H28F2N6O2
and a molecular weight of 506.56 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.
Molecular Properties
| Compound Name | N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide |
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| PubChem CID | 134338463 |
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| Molecular Formula | C27H28F2N6O2 |
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| Molecular Weight | 506.56 g/mol |
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| Exact Mass | 506.22 |
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| IUPAC Name | N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide |
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| SMILES | COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCNCC1 |
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| InChI | InChI=1S/C27H28F2N6O2/c1-16-9-22(28)20(26(36)33-18-3-4-18)10-19(16)17-12-32-35(14-17)25-13-31-24-11-23(37-2)21(15-34(24)25)27(29)5-7-30-8-6-27/h9-15,18,30H,3-8H2,1-2H3,(H,33,36) |
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| InChIKey | GVSMRIFWFZEEDL-UHFFFAOYSA-N |
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| XLogP | 4.08 |
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| TPSA | 85.48 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 6 |
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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 | 506.56 |
| LogP ≤ 5 | 4.08 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (CID 134338463) is N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2cc1C1(F)CCNCC1.
What is the InChIKey of N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is GVSMRIFWFZEEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O2/c1-16-9-22(28)20(26(36)33-18-3-4-18)10-19(16)17-12-32-35(14-17)25-13-31-24-11-23(37-2)21(15-34(24)25)27(29)5-7-30-8-6-27/h9-15,18,30H,3-8H2,1-2H3,(H,33,36).
What are the key properties of N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 506.56 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-5-[1-[6-(4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134338463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).