About methyl N-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboximidoyl]cyclopropanecarboximidate
methyl N-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboximidoyl]cyclopropanecarboximidate (PubChem CID 89191463) has the molecular formula C27H27FN6O2
and a molecular weight of 486.55 g/mol. Its IUPAC name is methyl N-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboximidoyl]cyclopropanecarboximidate.
Molecular Properties
| Compound Name | methyl N-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboximidoyl]cyclopropanecarboximidate |
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| PubChem CID | 89191463 |
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| Molecular Formula | C27H27FN6O2 |
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| Molecular Weight | 486.55 g/mol |
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| Exact Mass | 486.22 |
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| IUPAC Name | methyl N-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboximidoyl]cyclopropanecarboximidate |
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| SMILES | [H]/N=C(\N=C(/OC)C1CC1)c1cnc2ccc(-c3cn[nH]c3-c3ccc(OC4CCCC4)cc3F)cn12 |
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| InChI | InChI=1S/C27H27FN6O2/c1-35-27(16-6-7-16)32-26(29)23-14-30-24-11-8-17(15-34(23)24)21-13-31-33-25(21)20-10-9-19(12-22(20)28)36-18-4-2-3-5-18/h8-16,18,29H,2-7H2,1H3,(H,31,33)/b29-26-,32-27- |
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| InChIKey | HEURHISYESDXLH-MNSGCNSZSA-N |
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| XLogP | 5.63 |
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| TPSA | 100.65 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 486.55 |
| LogP ≤ 5 | 5.63 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of methyl N-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboximidoyl]cyclopropanecarboximidate?
The IUPAC name of methyl N-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboximidoyl]cyclopropanecarboximidate (CID 89191463) is methyl N-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboximidoyl]cyclopropanecarboximidate.
What is the SMILES notation for methyl N-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboximidoyl]cyclopropanecarboximidate?
The canonical SMILES for methyl N-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboximidoyl]cyclopropanecarboximidate is [H]/N=C(\N=C(/OC)C1CC1)c1cnc2ccc(-c3cn[nH]c3-c3ccc(OC4CCCC4)cc3F)cn12.
What is the InChIKey of methyl N-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboximidoyl]cyclopropanecarboximidate?
The InChIKey is HEURHISYESDXLH-MNSGCNSZSA-N. The full InChI is InChI=1S/C27H27FN6O2/c1-35-27(16-6-7-16)32-26(29)23-14-30-24-11-8-17(15-34(23)24)21-13-31-33-25(21)20-10-9-19(12-22(20)28)36-18-4-2-3-5-18/h8-16,18,29H,2-7H2,1H3,(H,31,33)/b29-26-,32-27-.
What are the key properties of methyl N-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboximidoyl]cyclopropanecarboximidate?
methyl N-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboximidoyl]cyclopropanecarboximidate has a molecular weight of 486.55 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[5-(4-cyclopentyloxy-2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboximidoyl]cyclopropanecarboximidate is sourced from PubChem (CID 89191463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).