6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]

C18H19FN2O — CID 169100791

IUPAC6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]
SMILESFc1ccc(Cc2cnc3c(c2)NCC32CCOCC2)cc1
InChIInChI=1S/C18H19FN2O/c19-15-3-1-13(2-4-15)9-14-10-16-17(20-11-14)18(12-21-16)5-7-22-8-6-18/h1-4,10-11,21H,5-9,12H2
InChIKeyOFUXTUITXSRNKJ-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.29
Rot. Bonds2

About 6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]

6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane] (PubChem CID 169100791) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane].

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]
PubChem CID169100791
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]
SMILESFc1ccc(Cc2cnc3c(c2)NCC32CCOCC2)cc1
InChIInChI=1S/C18H19FN2O/c19-15-3-1-13(2-4-15)9-14-10-16-17(20-11-14)18(12-21-16)5-7-22-8-6-18/h1-4,10-11,21H,5-9,12H2
InChIKeyOFUXTUITXSRNKJ-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]?
The IUPAC name of 6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane] (CID 169100791) is 6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane].
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane] is Fc1ccc(Cc2cnc3c(c2)NCC32CCOCC2)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]?
The InChIKey is OFUXTUITXSRNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-15-3-1-13(2-4-15)9-14-10-16-17(20-11-14)18(12-21-16)5-7-22-8-6-18/h1-4,10-11,21H,5-9,12H2.
What are the key properties of 6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane]?
6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane] has a molecular weight of 298.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]spiro[1,2-dihydropyrrolo[3,2-b]pyridine-3,4'-oxane] is sourced from PubChem (CID 169100791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).