About [1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid
[1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid (PubChem CID 87309621) has the molecular formula C28H30FN3O5
and a molecular weight of 507.56 g/mol. Its IUPAC name is [1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid.
Molecular Properties
| Compound Name | [1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid |
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| PubChem CID | 87309621 |
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| Molecular Formula | C28H30FN3O5 |
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| Molecular Weight | 507.56 g/mol |
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| Exact Mass | 507.22 |
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| IUPAC Name | [1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid |
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| SMILES | O=C(O)NC1(c2ccc(N3Cc4oc(NCCO)cc4C(OCCF)=C3c3ccccc3)cc2)CCC1 |
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| InChI | InChI=1S/C28H30FN3O5/c29-13-16-36-26-22-17-24(30-14-15-33)37-23(22)18-32(25(26)19-5-2-1-3-6-19)21-9-7-20(8-10-21)28(11-4-12-28)31-27(34)35/h1-3,5-10,17,30-31,33H,4,11-16,18H2,(H,34,35) |
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| InChIKey | ZNHFXSHAYBKCOW-UHFFFAOYSA-N |
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| XLogP | 5.16 |
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| TPSA | 107.20 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 507.56 |
| LogP ≤ 5 | 5.16 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of [1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid (CID 87309621) is [1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid is O=C(O)NC1(c2ccc(N3Cc4oc(NCCO)cc4C(OCCF)=C3c3ccccc3)cc2)CCC1.
What is the InChIKey of [1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid?
The InChIKey is ZNHFXSHAYBKCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O5/c29-13-16-36-26-22-17-24(30-14-15-33)37-23(22)18-32(25(26)19-5-2-1-3-6-19)21-9-7-20(8-10-21)28(11-4-12-28)31-27(34)35/h1-3,5-10,17,30-31,33H,4,11-16,18H2,(H,34,35).
What are the key properties of [1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid?
[1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid has a molecular weight of 507.56 g/mol, XLogP of 5.16, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[4-(2-fluoroethoxy)-2-(2-hydroxyethylamino)-5-phenyl-7H-furo[2,3-c]pyridin-6-yl]phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 87309621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).