6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one

C24H18FNO2 — CID 22320589

IUPAC6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one
SMILESCn1cc(Cc2ccc(F)cc2)c(=O)c2oc(C#CCc3ccccc3)cc21
InChIInChI=1S/C24H18FNO2/c1-26-16-19(14-18-10-12-20(25)13-11-18)23(27)24-22(26)15-21(28-24)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-13,15-16H,8,14H2,1H3
InChIKeyFRLFNJWRWVMNPX-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.46
Rot. Bonds3

About 6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one

6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one (PubChem CID 22320589) has the molecular formula C24H18FNO2 and a molecular weight of 371.41 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one
PubChem CID22320589
Molecular FormulaC24H18FNO2
Molecular Weight371.41 g/mol
Exact Mass371.13
IUPAC Name6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one
SMILESCn1cc(Cc2ccc(F)cc2)c(=O)c2oc(C#CCc3ccccc3)cc21
InChIInChI=1S/C24H18FNO2/c1-26-16-19(14-18-10-12-20(25)13-11-18)23(27)24-22(26)15-21(28-24)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-13,15-16H,8,14H2,1H3
InChIKeyFRLFNJWRWVMNPX-UHFFFAOYSA-N
XLogP4.46
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one (CID 22320589) is 6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one is Cn1cc(Cc2ccc(F)cc2)c(=O)c2oc(C#CCc3ccccc3)cc21.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one?
The InChIKey is FRLFNJWRWVMNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO2/c1-26-16-19(14-18-10-12-20(25)13-11-18)23(27)24-22(26)15-21(28-24)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-13,15-16H,8,14H2,1H3.
What are the key properties of 6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one?
6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one has a molecular weight of 371.41 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-4-methyl-2-(3-phenylprop-1-ynyl)furo[3,2-b]pyridin-7-one is sourced from PubChem (CID 22320589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).