5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide

C20H19FN4O4S — CID 123790068

IUPAC5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCN(c1nc2oc(Cc3ccc(F)cc3)c(C(N)=O)c2cc1CCC#N)S(C)(=O)=O
InChIInChI=1S/C20H19FN4O4S/c1-25(30(2,27)28)19-13(4-3-9-22)11-15-17(18(23)26)16(29-20(15)24-19)10-12-5-7-14(21)8-6-12/h5-8,11H,3-4,10H2,1-2H3,(H2,23,26)
InChIKeyMGTDVYUALRPQIJ-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.51
Rot. Bonds7

About 5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide

5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 123790068) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is 5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
PubChem CID123790068
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC Name5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCN(c1nc2oc(Cc3ccc(F)cc3)c(C(N)=O)c2cc1CCC#N)S(C)(=O)=O
InChIInChI=1S/C20H19FN4O4S/c1-25(30(2,27)28)19-13(4-3-9-22)11-15-17(18(23)26)16(29-20(15)24-19)10-12-5-7-14(21)8-6-12/h5-8,11H,3-4,10H2,1-2H3,(H2,23,26)
InChIKeyMGTDVYUALRPQIJ-UHFFFAOYSA-N
XLogP2.51
TPSA130.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-butyl-2-(4-fluorophenyl)-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123781630
6-[3-(2-cyanophenoxy)propyl-methylsulfonylamino]-5-ethyl-2-[(4-fluorophenyl)methyl]furo[2,3-b]pyridine-3-carboxamide
CID 123781471
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-cyclopropyl-2-[(4-methoxyphenyl)methyl]-6-[methylsulfonyl(3-methylsulfonylpropyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123694688
2-(4-fluorophenyl)-5-(iodomethyl)-6-[methylsulfonyl(4-methylsulfonylbutyl)amino]furo[2,3-b]pyridine-3-carboxamide
CID 123526694
6-[but-3-enyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-(iodomethyl)furo[2,3-b]pyridine-3-carboxamide
CID 123670297
5-ethyl-2-(4-fluorophenyl)-6-[[3-(4-methoxyphenyl)propylsulfonylamino]methyl]furo[2,3-b]pyridine-3-carboxamide
CID 123841555
6-[[3-(2,5-dioxocyclopentyl)propyl-methylsulfonylamino]methyl]-5-ethyl-2-(4-fluorophenyl)furo[2,3-b]pyridine-3-carboxamide
CID 123825132
6-[[5-(dimethylamino)-5-oxopentyl]-methylsulfonylamino]-5-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 54575746
6-[[3-(2-bromo-5-fluorophenyl)-3-[tert-butyl(dimethyl)silyl]oxypropyl]-methylsulfonylamino]-5-cyclopropyl-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 123604730
6-[[3-[tert-butyl(dimethyl)silyl]oxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentyl]-methylsulfonylamino]-5-cyclopropyl-2-[(4-fluorophenyl)methyl]-1-benzofuran-3-carboxamide
CID 123875108
2-[(4-fluorophenyl)methyl]-6-(methanesulfonamido)-5-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]-1-benzofuran-3-carboxamide
CID 91089879

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide (CID 123790068) is 5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide is CN(c1nc2oc(Cc3ccc(F)cc3)c(C(N)=O)c2cc1CCC#N)S(C)(=O)=O.
What is the InChIKey of 5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is MGTDVYUALRPQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c1-25(30(2,27)28)19-13(4-3-9-22)11-15-17(18(23)26)16(29-20(15)24-19)10-12-5-7-14(21)8-6-12/h5-8,11H,3-4,10H2,1-2H3,(H2,23,26).
What are the key properties of 5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanoethyl)-2-[(4-fluorophenyl)methyl]-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 123790068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).