5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide

C26H30FN5O6S — CID 66664004

IUPAC5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(C)S(C)(=O)=O)c(CCCC(=O)N3CCCC3C(N)=O)cc12
InChIInChI=1S/C26H30FN5O6S/c1-29-25(35)21-18-14-16(6-4-8-20(33)32-13-5-7-19(32)23(28)34)24(31(2)39(3,36)37)30-26(18)38-22(21)15-9-11-17(27)12-10-15/h9-12,14,19H,4-8,13H2,1-3H3,(H2,28,34)(H,29,35)
InChIKeyNGXLTVPPDOJDRL-UHFFFAOYSA-N
MW559.62 g/mol
LogP2.19
Rot. Bonds9

About 5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide

5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide (PubChem CID 66664004) has the molecular formula C26H30FN5O6S and a molecular weight of 559.62 g/mol. Its IUPAC name is 5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
PubChem CID66664004
Molecular FormulaC26H30FN5O6S
Molecular Weight559.62 g/mol
Exact Mass559.19
IUPAC Name5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(C)S(C)(=O)=O)c(CCCC(=O)N3CCCC3C(N)=O)cc12
InChIInChI=1S/C26H30FN5O6S/c1-29-25(35)21-18-14-16(6-4-8-20(33)32-13-5-7-19(32)23(28)34)24(31(2)39(3,36)37)30-26(18)38-22(21)15-9-11-17(27)12-10-15/h9-12,14,19H,4-8,13H2,1-3H3,(H2,28,34)(H,29,35)
InChIKeyNGXLTVPPDOJDRL-UHFFFAOYSA-N
XLogP2.19
TPSA155.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.62
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide with MolForge

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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-[[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)-N-methyl-6-[3-(1-methylidene-1-oxo-1,2-thiazolidin-2-yl)propyl-methylsulfonylamino]furo[2,3-b]pyridine-3-carboxamide
CID 88899409
4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6-(propylsulfonylamino)furo[2,3-b]pyridin-5-yl]butanoic acid
CID 66663684
5-ethyl-2-(4-fluorophenyl)-6-[4-(2-methoxyphenoxy)butyl-methylsulfonylamino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 58052351
2-(4-fluorophenyl)-N,5-dimethyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 123380976
2-(4-fluorophenyl)-5-iodo-N-methyl-6-[methylsulfonyl-[3-(2-oxoimidazolidin-1-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 54575257
5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-6-(methylsulfonylmethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 66663778
5-[[5-cyclopropyl-2-[4-(2-fluorophenoxy)phenyl]-3-(methylcarbamoyl)furo[2,3-b]pyridin-6-yl]-methylsulfonylamino]pentanoic acid
CID 58052526
5-cyclopropyl-N-methyl-2-(4-methylphenyl)-6-[methylsulfonyl-[3-(2H-tetrazol-5-yl)propyl]amino]furo[2,3-b]pyridine-3-carboxamide
CID 58052436
6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-5-(oxiran-2-ylmethyl)furo[2,3-b]pyridine-3-carboxamide
CID 87095835
5-ethenyl-2-(4-fluorophenyl)-6-[hexyl(methylsulfonyl)amino]-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 157183968

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 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) is 5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(N(C)S(C)(=O)=O)c(CCCC(=O)N3CCCC3C(N)=O)cc12.
What is the InChIKey of 5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is NGXLTVPPDOJDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O6S/c1-29-25(35)21-18-14-16(6-4-8-20(33)32-13-5-7-19(32)23(28)34)24(31(2)39(3,36)37)30-26(18)38-22(21)15-9-11-17(27)12-10-15/h9-12,14,19H,4-8,13H2,1-3H3,(H2,28,34)(H,29,35).
What are the key properties of 5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide?
5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 559.62 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-carbamoylpyrrolidin-1-yl)-4-oxobutyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 66664004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).