About N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide
N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 134328431) has the molecular formula C29H32F2N6O2
and a molecular weight of 534.61 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.
Molecular Properties
| Compound Name | N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide |
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| PubChem CID | 134328431 |
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| Molecular Formula | C29H32F2N6O2 |
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| Molecular Weight | 534.61 g/mol |
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| Exact Mass | 534.26 |
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| IUPAC Name | N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide |
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| SMILES | CCN1CCC(F)(c2cn3c(-n4cc(-c5cc(C(=O)NC6CC6)c(F)cc5C)cn4)cnc3cc2OC)CC1 |
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| InChI | InChI=1S/C29H32F2N6O2/c1-4-35-9-7-29(31,8-10-35)23-17-36-26(13-25(23)39-3)32-15-27(36)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38) |
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| InChIKey | BGBQHJTZPPKKSO-UHFFFAOYSA-N |
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| XLogP | 4.82 |
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| TPSA | 76.69 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 534.61 |
| LogP ≤ 5 | 4.82 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 134328431) is N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is CCN1CCC(F)(c2cn3c(-n4cc(-c5cc(C(=O)NC6CC6)c(F)cc5C)cn4)cnc3cc2OC)CC1.
What is the InChIKey of N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is BGBQHJTZPPKKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N6O2/c1-4-35-9-7-29(31,8-10-35)23-17-36-26(13-25(23)39-3)32-15-27(36)37-16-19(14-33-37)21-12-22(24(30)11-18(21)2)28(38)34-20-5-6-20/h11-17,20H,4-10H2,1-3H3,(H,34,38).
What are the key properties of N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 534.61 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-[6-(1-ethyl-4-fluoropiperidin-4-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 134328431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).