About 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-methoxybutanamide
2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-methoxybutanamide (PubChem CID 118054901) has the molecular formula C31H25ClFN5O4
and a molecular weight of 586.02 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-methoxybutanamide.
Molecular Properties
| Compound Name | 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-methoxybutanamide |
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| PubChem CID | 118054901 |
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| Molecular Formula | C31H25ClFN5O4 |
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| Molecular Weight | 586.02 g/mol |
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| Exact Mass | 585.16 |
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| IUPAC Name | 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-methoxybutanamide |
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| SMILES | COCCC(C(=O)Nc1ccc2nc(-c3ccc(F)cc3)cn2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O |
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| InChI | InChI=1S/C31H25ClFN5O4/c1-41-12-11-27(38-18-28(42-2)25(14-30(38)39)24-13-21(32)6-3-20(24)15-34)31(40)35-23-9-10-29-36-26(17-37(29)16-23)19-4-7-22(33)8-5-19/h3-10,13-14,16-18,27H,11-12H2,1-2H3,(H,35,40) |
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| InChIKey | OYMWLNCQPGHRBO-UHFFFAOYSA-N |
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| XLogP | 5.72 |
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| TPSA | 110.65 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 586.02 |
| LogP ≤ 5 | 5.72 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-methoxybutanamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-methoxybutanamide?
The IUPAC name of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-methoxybutanamide (CID 118054901) is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-methoxybutanamide.
What is the SMILES notation for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-methoxybutanamide?
The canonical SMILES for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-methoxybutanamide is COCCC(C(=O)Nc1ccc2nc(-c3ccc(F)cc3)cn2c1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O.
What is the InChIKey of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-methoxybutanamide?
The InChIKey is OYMWLNCQPGHRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClFN5O4/c1-41-12-11-27(38-18-28(42-2)25(14-30(38)39)24-13-21(32)6-3-20(24)15-34)31(40)35-23-9-10-29-36-26(17-37(29)16-23)19-4-7-22(33)8-5-19/h3-10,13-14,16-18,27H,11-12H2,1-2H3,(H,35,40).
What are the key properties of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-methoxybutanamide?
2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-methoxybutanamide has a molecular weight of 586.02 g/mol, XLogP of 5.72, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-4-methoxybutanamide is sourced from PubChem (CID 118054901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).