N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C92H75F6N13O11S — CID 158059901

About N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 158059901) has the molecular formula C92H75F6N13O11S and a molecular weight of 1684.75 g/mol. Its IUPAC name is N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
• PubChem CID: 158059901
• Molecular Formula: C92H75F6N13O11S
• Molecular Weight: 1684.75 g/mol
• Exact Mass: 1683.53
• IUPAC Name: N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
• SMILES: C=C1C=Cc2cc(C(=O)NCc3ccccc3)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)O)[nH]c2N1c1ccc(C(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)O)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)O)[nH]c2N1c1ccc(OC(C)C)cc1
• InChI: InChI=1S/C22H18FN3O.C21H17FN4O3S.C18H18N2O3.C16H11F3N2O2.C15H11FN2O2/c1-15-7-8-17-13-20(22(27)24-14-16-5-3-2-4-6-16)25-21(17)26(15)19-11-9-18(23)10-12-19;1-13-2-3-14-12-19(25-20(14)26(13)17-8-4-15(22)5-9-17)21(27)24-16-6-10-18(11-7-16)30(23,28)29;1-11(2)23-15-8-6-14(7-9-15)20-12(3)4-5-13-10-16(18(21)22)19-17(13)20;1-9-2-3-10-8-13(15(22)23)20-14(10)21(9)12-6-4-11(5-7-12)16(17,18)19;1-9-2-3-10-8-13(15(19)20)17-14(10)18(9)12-6-4-11(16)5-7-12/h2-13,25H,1,14H2,(H,24,27);2-12,25H,1H2,(H,24,27)(H2,23,28,29);4-11,19H,3H2,1-2H3,(H,21,22);2-8,20H,1H2,(H,22,23);2-8,17H,1H2,(H,19,20)
• InChIKey: FKMYCIJXVKKWEU-UHFFFAOYSA-N
• XLogP: 20.61
• TPSA: 334.64 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1684.75
LogP ≤ 5	20.61
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?

The IUPAC name of N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 158059901) is N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

What is the SMILES notation for N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?

The canonical SMILES for N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is C=C1C=Cc2cc(C(=O)NCc3ccccc3)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)O)[nH]c2N1c1ccc(C(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)O)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)O)[nH]c2N1c1ccc(OC(C)C)cc1.

What is the InChIKey of N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?

The InChIKey is FKMYCIJXVKKWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O.C21H17FN4O3S.C18H18N2O3.C16H11F3N2O2.C15H11FN2O2/c1-15-7-8-17-13-20(22(27)24-14-16-5-3-2-4-6-16)25-21(17)26(15)19-11-9-18(23)10-12-19;1-13-2-3-14-12-19(25-20(14)26(13)17-8-4-15(22)5-9-17)21(27)24-16-6-10-18(11-7-16)30(23,28)29;1-11(2)23-15-8-6-14(7-9-15)20-12(3)4-5-13-10-16(18(21)22)19-17(13)20;1-9-2-3-10-8-13(15(22)23)20-14(10)21(9)12-6-4-11(5-7-12)16(17,18)19;1-9-2-3-10-8-13(15(19)20)17-14(10)18(9)12-6-4-11(16)5-7-12/h2-13,25H,1,14H2,(H,24,27);2-12,25H,1H2,(H,24,27)(H2,23,28,29);4-11,19H,3H2,1-2H3,(H,21,22);2-8,20H,1H2,(H,22,23);2-8,17H,1H2,(H,19,20).

What are the key properties of N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?

N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 1684.75 g/mol, XLogP of 20.61, 16 rotatable bonds, 11 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-fluorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(4-fluorophenyl)-6-methylidene-N-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-(4-propan-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 158059901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).