7-(4-fluorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid

C96H73F10N11O11 — CID 158449184

About 7-(4-fluorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid

7-(4-fluorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 158449184) has the molecular formula C96H73F10N11O11 and a molecular weight of 1746.69 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 7-(4-fluorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid
• PubChem CID: 158449184
• Molecular Formula: C96H73F10N11O11
• Molecular Weight: 1746.69 g/mol
• Exact Mass: 1745.53
• IUPAC Name: 7-(4-fluorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid
• SMILES: C=C1C=Cc2cc(C(=O)NCc3cccc(OC)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)O)n(C)c2N1c1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C28H20F3N3O3.C27H20FN3O2.C24H20F3N3O3.C17H13F3N2O3/c1-18-7-8-19-17-25(33-26(19)34(18)21-11-15-24(16-12-21)37-28(29,30)31)27(35)32-20-9-13-23(14-10-20)36-22-5-3-2-4-6-22;1-18-7-8-19-17-25(30-26(19)31(18)22-13-9-20(28)10-14-22)27(32)29-21-11-15-24(16-12-21)33-23-5-3-2-4-6-23;1-15-6-7-17-13-21(23(31)28-14-16-4-3-5-20(12-16)32-2)29-22(17)30(15)18-8-10-19(11-9-18)33-24(25,26)27;1-10-3-4-11-9-14(16(23)24)21(2)15(11)22(10)12-5-7-13(8-6-12)25-17(18,19)20/h2-17,33H,1H2,(H,32,35);2-17,30H,1H2,(H,29,32);3-13,29H,1,14H2,2H3,(H,28,31);3-9H,1H2,2H3,(H,23,24)
• InChIKey: HDTOWBDCCCGESK-UHFFFAOYSA-N
• XLogP: 24.34
• TPSA: 245.24 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1746.69
LogP ≤ 5	24.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid?

The IUPAC name of 7-(4-fluorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 158449184) is 7-(4-fluorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid.

What is the SMILES notation for 7-(4-fluorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid?

The canonical SMILES for 7-(4-fluorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid is C=C1C=Cc2cc(C(=O)NCc3cccc(OC)c3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2N1c1ccc(F)cc1.C=C1C=Cc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2N1c1ccc(OC(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)O)n(C)c2N1c1ccc(OC(F)(F)F)cc1.

What is the InChIKey of 7-(4-fluorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid?

The InChIKey is HDTOWBDCCCGESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N3O3.C27H20FN3O2.C24H20F3N3O3.C17H13F3N2O3/c1-18-7-8-19-17-25(33-26(19)34(18)21-11-15-24(16-12-21)37-28(29,30)31)27(35)32-20-9-13-23(14-10-20)36-22-5-3-2-4-6-22;1-18-7-8-19-17-25(30-26(19)31(18)22-13-9-20(28)10-14-22)27(32)29-21-11-15-24(16-12-21)33-23-5-3-2-4-6-23;1-15-6-7-17-13-21(23(31)28-14-16-4-3-5-20(12-16)32-2)29-22(17)30(15)18-8-10-19(11-9-18)33-24(25,26)27;1-10-3-4-11-9-14(16(23)24)21(2)15(11)22(10)12-5-7-13(8-6-12)25-17(18,19)20/h2-17,33H,1H2,(H,32,35);2-17,30H,1H2,(H,29,32);3-13,29H,1,14H2,2H3,(H,28,31);3-9H,1H2,2H3,(H,23,24).

What are the key properties of 7-(4-fluorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid?

7-(4-fluorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 1746.69 g/mol, XLogP of 24.34, 20 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-fluorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;N-[(3-methoxyphenyl)methyl]-6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-N-(4-phenoxyphenyl)-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;1-methyl-6-methylidene-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 158449184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).