About 4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide
4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide (PubChem CID 146299096) has the molecular formula C23H24ClFN6O4
and a molecular weight of 502.93 g/mol. Its IUPAC name is 4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide.
Molecular Properties
| Compound Name | 4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide |
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| PubChem CID | 146299096 |
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| Molecular Formula | C23H24ClFN6O4 |
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| Molecular Weight | 502.93 g/mol |
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| Exact Mass | 502.15 |
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| IUPAC Name | 4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide |
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| SMILES | CC(CO)NC(=O)c1cncnc1Nc1cc(-c2cc(Cl)ccc2F)c(=O)[nH]c1N1CCOCC1 |
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| InChI | InChI=1S/C23H24ClFN6O4/c1-13(11-32)28-23(34)17-10-26-12-27-20(17)29-19-9-16(15-8-14(24)2-3-18(15)25)22(33)30-21(19)31-4-6-35-7-5-31/h2-3,8-10,12-13,32H,4-7,11H2,1H3,(H,28,34)(H,30,33)(H,26,27,29) |
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| InChIKey | VSCFZQUPHZUWOX-UHFFFAOYSA-N |
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| XLogP | 2.32 |
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| TPSA | 132.47 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 502.93 |
| LogP ≤ 5 | 2.32 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide (CID 146299096) is 4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide is CC(CO)NC(=O)c1cncnc1Nc1cc(-c2cc(Cl)ccc2F)c(=O)[nH]c1N1CCOCC1.
What is the InChIKey of 4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide?
The InChIKey is VSCFZQUPHZUWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN6O4/c1-13(11-32)28-23(34)17-10-26-12-27-20(17)29-19-9-16(15-8-14(24)2-3-18(15)25)22(33)30-21(19)31-4-6-35-7-5-31/h2-3,8-10,12-13,32H,4-7,11H2,1H3,(H,28,34)(H,30,33)(H,26,27,29).
What are the key properties of 4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide?
4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide has a molecular weight of 502.93 g/mol, XLogP of 2.32, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(5-chloro-2-fluorophenyl)-2-morpholin-4-yl-6-oxo-1H-pyridin-3-yl]amino]-N-(1-hydroxypropan-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 146299096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).