About (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide
(2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide (PubChem CID 45381992) has the molecular formula C22H20ClFN6O3
and a molecular weight of 470.89 g/mol. Its IUPAC name is (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide.
Molecular Properties
| Compound Name | (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide |
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| PubChem CID | 45381992 |
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| Molecular Formula | C22H20ClFN6O3 |
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| Molecular Weight | 470.89 g/mol |
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| Exact Mass | 470.13 |
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| IUPAC Name | (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide |
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| SMILES | CNC(=O)[C@@H](C)Oc1ccc(Nc2ncc(Cl)c(-c3cnc4c(F)cccn34)n2)c(OC)c1 |
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| InChI | InChI=1S/C22H20ClFN6O3/c1-12(21(31)25-2)33-13-6-7-16(18(9-13)32-3)28-22-27-10-14(23)19(29-22)17-11-26-20-15(24)5-4-8-30(17)20/h4-12H,1-3H3,(H,25,31)(H,27,28,29)/t12-/m1/s1 |
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| InChIKey | YHLHYHZJAWTCDP-GFCCVEGCSA-N |
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| XLogP | 3.85 |
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| TPSA | 102.67 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 470.89 |
| LogP ≤ 5 | 3.85 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide?
The IUPAC name of (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide (CID 45381992) is (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide is CNC(=O)[C@@H](C)Oc1ccc(Nc2ncc(Cl)c(-c3cnc4c(F)cccn34)n2)c(OC)c1.
What is the InChIKey of (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide?
The InChIKey is YHLHYHZJAWTCDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H20ClFN6O3/c1-12(21(31)25-2)33-13-6-7-16(18(9-13)32-3)28-22-27-10-14(23)19(29-22)17-11-26-20-15(24)5-4-8-30(17)20/h4-12H,1-3H3,(H,25,31)(H,27,28,29)/t12-/m1/s1.
What are the key properties of (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide?
(2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide has a molecular weight of 470.89 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[[5-chloro-4-(8-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenoxy]-N-methylpropanamide is sourced from PubChem (CID 45381992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).