8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde

C18H15FN2O3 — CID 74001544

IUPAC8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1nc2c(OC3c4ccc(F)cc4CC3O)cccn2c1C=O
InChIInChI=1S/C18H15FN2O3/c1-10-14(9-22)21-6-2-3-16(18(21)20-10)24-17-13-5-4-12(19)7-11(13)8-15(17)23/h2-7,9,15,17,23H,8H2,1H3
InChIKeyXDEVBXBJDNRPGC-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.63
Rot. Bonds3

About 8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde

8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 74001544) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID74001544
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCc1nc2c(OC3c4ccc(F)cc4CC3O)cccn2c1C=O
InChIInChI=1S/C18H15FN2O3/c1-10-14(9-22)21-6-2-3-16(18(21)20-10)24-17-13-5-4-12(19)7-11(13)8-15(17)23/h2-7,9,15,17,23H,8H2,1H3
InChIKeyXDEVBXBJDNRPGC-UHFFFAOYSA-N
XLogP2.63
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde (CID 74001544) is 8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde is Cc1nc2c(OC3c4ccc(F)cc4CC3O)cccn2c1C=O.
What is the InChIKey of 8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is XDEVBXBJDNRPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-10-14(9-22)21-6-2-3-16(18(21)20-10)24-17-13-5-4-12(19)7-11(13)8-15(17)23/h2-7,9,15,17,23H,8H2,1H3.
What are the key properties of 8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde?
8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 326.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-fluoro-2-hydroxy-2,3-dihydro-1H-inden-1-yl)oxy]-2-methylimidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 74001544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).