N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

C98H76Cl4F3N13O10 — CID 159051641

About N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (PubChem CID 159051641) has the molecular formula C98H76Cl4F3N13O10 and a molecular weight of 1794.57 g/mol. Its IUPAC name is N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
• PubChem CID: 159051641
• Molecular Formula: C98H76Cl4F3N13O10
• Molecular Weight: 1794.57 g/mol
• Exact Mass: 1791.45
• IUPAC Name: N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
• SMILES: C=C1C=Cc2cc(C(=O)N3CCCC3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Cl)c3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)O)[nH]c2N1c1ccc(OC(F)(F)F)cc1.Cc1cccc(-n2c(=O)ccc3cc(C(=O)O)[nH]c32)c1
• InChI: InChI=1S/C27H20ClN3O2.C21H15Cl2N3O.C19H18ClN3O.C16H11F3N2O3.C15H12N2O3/c1-18-7-8-19-17-25(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;1-13-5-6-14-11-19(21(27)24-17-4-2-3-16(23)12-17)25-20(14)26(13)18-9-7-15(22)8-10-18;1-13-4-5-14-12-17(19(24)22-10-2-3-11-22)21-18(14)23(13)16-8-6-15(20)7-9-16;1-9-2-3-10-8-13(15(22)23)20-14(10)21(9)11-4-6-12(7-5-11)24-16(17,18)19;1-9-3-2-4-11(7-9)17-13(18)6-5-10-8-12(15(19)20)16-14(10)17/h2-17,30H,1H2,(H,29,32);2-12,25H,1H2,(H,24,27);4-9,12,21H,1-3,10-11H2;2-8,20H,1H2,(H,22,23);2-8,16H,1H3,(H,19,20)
• InChIKey: JXIKXMDDQKEORM-UHFFFAOYSA-N
• XLogP: 24.84
• TPSA: 285.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1794.57
LogP ≤ 5	24.84
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?

The IUPAC name of N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (CID 159051641) is N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid.

What is the SMILES notation for N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?

The canonical SMILES for N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is C=C1C=Cc2cc(C(=O)N3CCCC3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)Nc3cccc(Cl)c3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)O)[nH]c2N1c1ccc(OC(F)(F)F)cc1.Cc1cccc(-n2c(=O)ccc3cc(C(=O)O)[nH]c32)c1.

What is the InChIKey of N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?

The InChIKey is JXIKXMDDQKEORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O2.C21H15Cl2N3O.C19H18ClN3O.C16H11F3N2O3.C15H12N2O3/c1-18-7-8-19-17-25(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;1-13-5-6-14-11-19(21(27)24-17-4-2-3-16(23)12-17)25-20(14)26(13)18-9-7-15(22)8-10-18;1-13-4-5-14-12-17(19(24)22-10-2-3-11-22)21-18(14)23(13)16-8-6-15(20)7-9-16;1-9-2-3-10-8-13(15(22)23)20-14(10)21(9)11-4-6-12(7-5-11)24-16(17,18)19;1-9-3-2-4-11(7-9)17-13(18)6-5-10-8-12(15(19)20)16-14(10)17/h2-17,30H,1H2,(H,29,32);2-12,25H,1H2,(H,24,27);4-9,12,21H,1-3,10-11H2;2-8,20H,1H2,(H,22,23);2-8,16H,1H3,(H,19,20).

What are the key properties of N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid?

N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 1794.57 g/mol, XLogP of 24.84, 15 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;7-(4-chlorophenyl)-6-methylidene-N-(4-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;7-(3-methylphenyl)-6-oxo-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 159051641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).