About [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(1-methylpiperidin-4-yl)carbamate
[6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(1-methylpiperidin-4-yl)carbamate (PubChem CID 69034397) has the molecular formula C26H24BrFN6O2
and a molecular weight of 551.42 g/mol. Its IUPAC name is [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(1-methylpiperidin-4-yl)carbamate.
Molecular Properties
| Compound Name | [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(1-methylpiperidin-4-yl)carbamate |
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| PubChem CID | 69034397 |
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| Molecular Formula | C26H24BrFN6O2 |
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| Molecular Weight | 551.42 g/mol |
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| Exact Mass | 550.11 |
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| IUPAC Name | [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(1-methylpiperidin-4-yl)carbamate |
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| SMILES | CN1CCC(NC(=O)Oc2nc3nc(Nc4ccc(F)cc4)ncc3cc2-c2ccccc2Br)CC1 |
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| InChI | InChI=1S/C26H24BrFN6O2/c1-34-12-10-19(11-13-34)31-26(35)36-24-21(20-4-2-3-5-22(20)27)14-16-15-29-25(33-23(16)32-24)30-18-8-6-17(28)7-9-18/h2-9,14-15,19H,10-13H2,1H3,(H,31,35)(H,29,30,32,33) |
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| InChIKey | KFONVCNCXYMWJK-UHFFFAOYSA-N |
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| XLogP | 5.52 |
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| TPSA | 92.27 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 551.42 |
| LogP ≤ 5 | 5.52 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(1-methylpiperidin-4-yl)carbamate?
The IUPAC name of [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(1-methylpiperidin-4-yl)carbamate (CID 69034397) is [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(1-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(1-methylpiperidin-4-yl)carbamate?
The canonical SMILES for [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(1-methylpiperidin-4-yl)carbamate is CN1CCC(NC(=O)Oc2nc3nc(Nc4ccc(F)cc4)ncc3cc2-c2ccccc2Br)CC1.
What is the InChIKey of [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(1-methylpiperidin-4-yl)carbamate?
The InChIKey is KFONVCNCXYMWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrFN6O2/c1-34-12-10-19(11-13-34)31-26(35)36-24-21(20-4-2-3-5-22(20)27)14-16-15-29-25(33-23(16)32-24)30-18-8-6-17(28)7-9-18/h2-9,14-15,19H,10-13H2,1H3,(H,31,35)(H,29,30,32,33).
What are the key properties of [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(1-methylpiperidin-4-yl)carbamate?
[6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(1-methylpiperidin-4-yl)carbamate has a molecular weight of 551.42 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromophenyl)-2-(4-fluoroanilino)pyrido[2,3-d]pyrimidin-7-yl] N-(1-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 69034397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).