About [2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 10274916) has the molecular formula C26H22FN5O
and a molecular weight of 439.49 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
Molecular Properties
| Compound Name | [2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol |
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| PubChem CID | 10274916 |
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| Molecular Formula | C26H22FN5O |
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| Molecular Weight | 439.49 g/mol |
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| Exact Mass | 439.18 |
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| IUPAC Name | [2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol |
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| SMILES | C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1ccccc1 |
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| InChI | InChI=1S/C26H22FN5O/c1-17(19-5-3-2-4-6-19)29-26-28-13-11-22(30-26)25-24(20-7-9-21(27)10-8-20)31-23-15-18(16-33)12-14-32(23)25/h2-15,17,33H,16H2,1H3,(H,28,29,30)/t17-/m0/s1 |
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| InChIKey | OTHXKXLDXUKVMF-KRWDZBQOSA-N |
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| XLogP | 5.26 |
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| TPSA | 75.34 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 | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 439.49 |
| LogP ≤ 5 | 5.26 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of [2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 10274916) is [2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1ccccc1.
What is the InChIKey of [2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is OTHXKXLDXUKVMF-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H22FN5O/c1-17(19-5-3-2-4-6-19)29-26-28-13-11-22(30-26)25-24(20-7-9-21(27)10-8-20)31-23-15-18(16-33)12-14-32(23)25/h2-15,17,33H,16H2,1H3,(H,28,29,30)/t17-/m0/s1.
What are the key properties of [2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 439.49 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 10274916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).