6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide

C26H28FN3O6S — CID 123825132

IUPAC6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCCc1cc2c(C(N)=O)c(-c3ccc(F)cc3)oc2nc1CN(CCCC1C(=O)CCC1=O)S(C)(=O)=O
InChIInChI=1S/C26H28FN3O6S/c1-3-15-13-19-23(25(28)33)24(16-6-8-17(27)9-7-16)36-26(19)29-20(15)14-30(37(2,34)35)12-4-5-18-21(31)10-11-22(18)32/h6-9,13,18H,3-5,10-12,14H2,1-2H3,(H2,28,33)
InChIKeyYFWQUMPQIFMJAI-UHFFFAOYSA-N
MW529.59 g/mol
LogP3.39
Rot. Bonds10

About 6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide

6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 123825132) has the molecular formula C26H28FN3O6S and a molecular weight of 529.59 g/mol. Its IUPAC name is 6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID123825132
Molecular FormulaC26H28FN3O6S
Molecular Weight529.59 g/mol
Exact Mass529.17
IUPAC Name6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCCc1cc2c(C(N)=O)c(-c3ccc(F)cc3)oc2nc1CN(CCCC1C(=O)CCC1=O)S(C)(=O)=O
InChIInChI=1S/C26H28FN3O6S/c1-3-15-13-19-23(25(28)33)24(16-6-8-17(27)9-7-16)36-26(19)29-20(15)14-30(37(2,34)35)12-4-5-18-21(31)10-11-22(18)32/h6-9,13,18H,3-5,10-12,14H2,1-2H3,(H2,28,33)
InChIKeyYFWQUMPQIFMJAI-UHFFFAOYSA-N
XLogP3.39
TPSA140.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.59
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-2-(4-fluorophenyl)-6-[[2-(7-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethyl-methylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide
CID 123295458
5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123781630
2-(4-fluorophenyl)-5-(iodomethyl)-6-[methylsulfonyl(4-methylsulfonylbutyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123526694
5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide
CID 123841555
6-[but-3-enyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-(iodomethyl)furo[2,3-b]pyridine-3-carboxamide
CID 123670297
5-(cyclopropylmethyl)-2-(4-methylphenyl)-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123370387
6-[[3-carboxypropyl(sulfinato)amino]methyl]-5-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridine
CID 122472669
6-[[5-(dimethylamino)-5-oxopentyl]-methylsulfonylamino]-5-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 54575746
5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 58052351
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[methylsulfonyl-[3-(1-oxothiazinan-2-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 129202685
5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 66664004
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
CID 88899409

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide (CID 123825132) is 6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide is CCc1cc2c(C(N)=O)c(-c3ccc(F)cc3)oc2nc1CN(CCCC1C(=O)CCC1=O)S(C)(=O)=O.
What is the InChIKey of 6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is YFWQUMPQIFMJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O6S/c1-3-15-13-19-23(25(28)33)24(16-6-8-17(27)9-7-16)36-26(19)29-20(15)14-30(37(2,34)35)12-4-5-18-21(31)10-11-22(18)32/h6-9,13,18H,3-5,10-12,14H2,1-2H3,(H2,28,33).
What are the key properties of 6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide?
6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 529.59 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 123825132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).