methyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate

C24H19FN2O5 — CID 71838287

IUPACmethyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c(C)oc3ccn(Cc4ccc(F)cc4)c(=O)c23)cc1
InChIInChI=1S/C24H19FN2O5/c1-14-20(22(28)26-18-9-5-16(6-10-18)24(30)31-2)21-19(32-14)11-12-27(23(21)29)13-15-3-7-17(25)8-4-15/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyQQUQNECHKZYTCO-UHFFFAOYSA-N
MW434.42 g/mol
LogP4.13
Rot. Bonds5

About methyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate

methyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate (PubChem CID 71838287) has the molecular formula C24H19FN2O5 and a molecular weight of 434.42 g/mol. Its IUPAC name is methyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate
PubChem CID71838287
Molecular FormulaC24H19FN2O5
Molecular Weight434.42 g/mol
Exact Mass434.13
IUPAC Namemethyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c(C)oc3ccn(Cc4ccc(F)cc4)c(=O)c23)cc1
InChIInChI=1S/C24H19FN2O5/c1-14-20(22(28)26-18-9-5-16(6-10-18)24(30)31-2)21-19(32-14)11-12-27(23(21)29)13-15-3-7-17(25)8-4-15/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyQQUQNECHKZYTCO-UHFFFAOYSA-N
XLogP4.13
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate (CID 71838287) is methyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2c(C)oc3ccn(Cc4ccc(F)cc4)c(=O)c23)cc1.
What is the InChIKey of methyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate?
The InChIKey is QQUQNECHKZYTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O5/c1-14-20(22(28)26-18-9-5-16(6-10-18)24(30)31-2)21-19(32-14)11-12-27(23(21)29)13-15-3-7-17(25)8-4-15/h3-12H,13H2,1-2H3,(H,26,28).
What are the key properties of methyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate?
methyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate has a molecular weight of 434.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 71838287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).