About 5-[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxypentanamide
5-[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxypentanamide (PubChem CID 153003559) has the molecular formula C29H35F2N9O2
and a molecular weight of 579.66 g/mol. Its IUPAC name is 5-[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxypentanamide.
Molecular Properties
| Compound Name | 5-[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxypentanamide |
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| PubChem CID | 153003559 |
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| Molecular Formula | C29H35F2N9O2 |
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| Molecular Weight | 579.66 g/mol |
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| Exact Mass | 579.29 |
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| IUPAC Name | 5-[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxypentanamide |
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| SMILES | Cc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCN(CCCCC(=O)NO)CC5)cn4)ncc3F)cc2n1C(C)C |
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| InChI | InChI=1S/C29H35F2N9O2/c1-18(2)40-19(3)34-28-22(30)14-20(15-24(28)40)27-23(31)17-33-29(36-27)35-25-8-7-21(16-32-25)39-12-10-38(11-13-39)9-5-4-6-26(41)37-42/h7-8,14-18,42H,4-6,9-13H2,1-3H3,(H,37,41)(H,32,33,35,36) |
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| InChIKey | UYQAHYYLYNGANO-UHFFFAOYSA-N |
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| XLogP | 4.60 |
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| TPSA | 124.33 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 579.66 |
| LogP ≤ 5 | 4.60 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Analyze 5-[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxypentanamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 5-[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxypentanamide?
The IUPAC name of 5-[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxypentanamide (CID 153003559) is 5-[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxypentanamide.
What is the SMILES notation for 5-[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxypentanamide?
The canonical SMILES for 5-[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxypentanamide is Cc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCN(CCCCC(=O)NO)CC5)cn4)ncc3F)cc2n1C(C)C.
What is the InChIKey of 5-[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxypentanamide?
The InChIKey is UYQAHYYLYNGANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F2N9O2/c1-18(2)40-19(3)34-28-22(30)14-20(15-24(28)40)27-23(31)17-33-29(36-27)35-25-8-7-21(16-32-25)39-12-10-38(11-13-39)9-5-4-6-26(41)37-42/h7-8,14-18,42H,4-6,9-13H2,1-3H3,(H,37,41)(H,32,33,35,36).
What are the key properties of 5-[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxypentanamide?
5-[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxypentanamide has a molecular weight of 579.66 g/mol, XLogP of 4.60, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]-N-hydroxypentanamide is sourced from PubChem (CID 153003559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).