About 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-[1-[(4-methoxyphenyl)methoxy]cyclopropyl]pyrimidin-4-amine
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-[1-[(4-methoxyphenyl)methoxy]cyclopropyl]pyrimidin-4-amine (PubChem CID 11081567) has the molecular formula C28H25FN6O2
and a molecular weight of 496.55 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-[1-[(4-methoxyphenyl)methoxy]cyclopropyl]pyrimidin-4-amine.
Molecular Properties
| Compound Name | 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-[1-[(4-methoxyphenyl)methoxy]cyclopropyl]pyrimidin-4-amine |
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| PubChem CID | 11081567 |
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| Molecular Formula | C28H25FN6O2 |
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| Molecular Weight | 496.55 g/mol |
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| Exact Mass | 496.20 |
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| IUPAC Name | 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-[1-[(4-methoxyphenyl)methoxy]cyclopropyl]pyrimidin-4-amine |
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| SMILES | COc1ccc(COC2(c3cnc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3N)CC2)cc1 |
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| InChI | InChI=1S/C28H25FN6O2/c1-36-20-10-8-18(9-11-20)17-37-28(12-13-28)22-15-32-26(33-25(22)30)24-21-6-4-14-31-27(21)35(34-24)16-19-5-2-3-7-23(19)29/h2-11,14-15H,12-13,16-17H2,1H3,(H2,30,32,33) |
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| InChIKey | ZJZYJLQYRBLHCP-UHFFFAOYSA-N |
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| XLogP | 4.87 |
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| TPSA | 100.97 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 37 |
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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 | 496.55 |
| LogP ≤ 5 | 4.87 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-[1-[(4-methoxyphenyl)methoxy]cyclopropyl]pyrimidin-4-amine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-[1-[(4-methoxyphenyl)methoxy]cyclopropyl]pyrimidin-4-amine (CID 11081567) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-[1-[(4-methoxyphenyl)methoxy]cyclopropyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-[1-[(4-methoxyphenyl)methoxy]cyclopropyl]pyrimidin-4-amine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-[1-[(4-methoxyphenyl)methoxy]cyclopropyl]pyrimidin-4-amine is COc1ccc(COC2(c3cnc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3N)CC2)cc1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-[1-[(4-methoxyphenyl)methoxy]cyclopropyl]pyrimidin-4-amine?
The InChIKey is ZJZYJLQYRBLHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN6O2/c1-36-20-10-8-18(9-11-20)17-37-28(12-13-28)22-15-32-26(33-25(22)30)24-21-6-4-14-31-27(21)35(34-24)16-19-5-2-3-7-23(19)29/h2-11,14-15H,12-13,16-17H2,1H3,(H2,30,32,33).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-[1-[(4-methoxyphenyl)methoxy]cyclopropyl]pyrimidin-4-amine?
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-[1-[(4-methoxyphenyl)methoxy]cyclopropyl]pyrimidin-4-amine has a molecular weight of 496.55 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-[1-[(4-methoxyphenyl)methoxy]cyclopropyl]pyrimidin-4-amine is sourced from PubChem (CID 11081567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).