About [5-[2-[2-(hydroxymethyl)imidazol-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol
[5-[2-[2-(hydroxymethyl)imidazol-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol (PubChem CID 59703374) has the molecular formula C24H26N6O4
and a molecular weight of 462.51 g/mol. Its IUPAC name is [5-[2-[2-(hydroxymethyl)imidazol-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol.
Molecular Properties
| Compound Name | [5-[2-[2-(hydroxymethyl)imidazol-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol |
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| PubChem CID | 59703374 |
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| Molecular Formula | C24H26N6O4 |
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| Molecular Weight | 462.51 g/mol |
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| Exact Mass | 462.20 |
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| IUPAC Name | [5-[2-[2-(hydroxymethyl)imidazol-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol |
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| SMILES | COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(-n4ccnc4CO)nc3n2)cc1CO |
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| InChI | InChI=1S/C24H26N6O4/c1-15-14-34-10-9-29(15)23-18-4-5-19(16-3-6-20(33-2)17(11-16)12-31)26-22(18)27-24(28-23)30-8-7-25-21(30)13-32/h3-8,11,15,31-32H,9-10,12-14H2,1-2H3/t15-/m0/s1 |
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| InChIKey | PJNZTQCQGULXSQ-HNNXBMFYSA-N |
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| XLogP | 2.10 |
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| TPSA | 118.65 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 34 |
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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 | 462.51 |
| LogP ≤ 5 | 2.10 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of [5-[2-[2-(hydroxymethyl)imidazol-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol?
The IUPAC name of [5-[2-[2-(hydroxymethyl)imidazol-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol (CID 59703374) is [5-[2-[2-(hydroxymethyl)imidazol-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol.
What is the SMILES notation for [5-[2-[2-(hydroxymethyl)imidazol-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol?
The canonical SMILES for [5-[2-[2-(hydroxymethyl)imidazol-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol is COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(-n4ccnc4CO)nc3n2)cc1CO.
What is the InChIKey of [5-[2-[2-(hydroxymethyl)imidazol-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol?
The InChIKey is PJNZTQCQGULXSQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-15-14-34-10-9-29(15)23-18-4-5-19(16-3-6-20(33-2)17(11-16)12-31)26-22(18)27-24(28-23)30-8-7-25-21(30)13-32/h3-8,11,15,31-32H,9-10,12-14H2,1-2H3/t15-/m0/s1.
What are the key properties of [5-[2-[2-(hydroxymethyl)imidazol-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol?
[5-[2-[2-(hydroxymethyl)imidazol-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol has a molecular weight of 462.51 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[2-(hydroxymethyl)imidazol-1-yl]-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol is sourced from PubChem (CID 59703374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).