4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid

C22H24FN3O6S — CID 66663684

IUPAC4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid
SMILESCCCS(=O)(=O)Nc1nc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1CCCC(=O)O
InChIInChI=1S/C22H24FN3O6S/c1-3-11-33(30,31)26-20-14(5-4-6-17(27)28)12-16-18(21(29)24-2)19(32-22(16)25-20)13-7-9-15(23)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyYFMXHOQTTHPWGX-UHFFFAOYSA-N
MW477.51 g/mol
LogP3.55
Rot. Bonds10

About 4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid

4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid (PubChem CID 66663684) has the molecular formula C22H24FN3O6S and a molecular weight of 477.51 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid
PubChem CID66663684
Molecular FormulaC22H24FN3O6S
Molecular Weight477.51 g/mol
Exact Mass477.14
IUPAC Name4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid
SMILESCCCS(=O)(=O)Nc1nc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1CCCC(=O)O
InChIInChI=1S/C22H24FN3O6S/c1-3-11-33(30,31)26-20-14(5-4-6-17(27)28)12-16-18(21(29)24-2)19(32-22(16)25-20)13-7-9-15(23)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyYFMXHOQTTHPWGX-UHFFFAOYSA-N
XLogP3.55
TPSA138.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-2-(4-fluorophenyl)-N-methyl-6-(5-propan-2-ylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide
CID 66664255
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[3-(4-methyl-1,3-thiazol-5-yl)propylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
CID 66663372
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide
CID 87095835
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-(2-oxopyrrolidin-1-yl)butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
CID 66663875
5-ethyl-2-(4-fluorophenyl)-N-methyl-6-[4-[(2-methylphenyl)sulfonylamino]butylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
CID 66663109
6-[[3-carboxypropyl(sulfinato)amino]methyl]-5-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridine
CID 122472669
2-(4-fluorophenyl)-N-methyl-6-[[(3S)-3-phenylmethoxypent-4-enyl]sulfonylamino]-5-prop-1-en-2-ylfuro[2,3-b]pyridine-3-carboxamide
CID 66663979
6-[[5-(dimethylamino)-5-oxopentyl]-methylsulfonylamino]-5-ethyl-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 54575746
6-[[3-carboxypropyl(sulfinato)amino]methyl]-2-(4-fluorophenyl)-5-iodo-3-(methylcarbamoyl)furo[2,3-b]pyridine
CID 66664298
5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(methylsulfonylmethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 66663778
5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-(5-methylsulfonylpentylsulfonylamino)furo[2,3-b]pyridine-3-carboxamide
CID 66664414
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid?
The IUPAC name of 4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid (CID 66663684) is 4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid?
The canonical SMILES for 4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid is CCCS(=O)(=O)Nc1nc2oc(-c3ccc(F)cc3)c(C(=O)NC)c2cc1CCCC(=O)O.
What is the InChIKey of 4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid?
The InChIKey is YFMXHOQTTHPWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O6S/c1-3-11-33(30,31)26-20-14(5-4-6-17(27)28)12-16-18(21(29)24-2)19(32-22(16)25-20)13-7-9-15(23)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,24,29)(H,25,26)(H,27,28).
What are the key properties of 4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid?
4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid has a molecular weight of 477.51 g/mol, XLogP of 3.55, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid is sourced from PubChem (CID 66663684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).