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]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate

C144H116Cl6F6N22O13S2 — CID 157423454

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]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate

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]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate (PubChem CID 157423454) has the molecular formula C144H116Cl6F6N22O13S2 and a molecular weight of 2753.49 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]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate.

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]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate
• PubChem CID: 157423454
• Molecular Formula: C144H116Cl6F6N22O13S2
• Molecular Weight: 2753.49 g/mol
• Exact Mass: 2748.66
• 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]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate
• SMILES: C=C1C=Cc2cc(C(=O)N3CCCC3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)N3CCN(C)CC3)[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)Nc3cccc(S(=O)(=O)OC)c3)[nH]c2N1c1ccc(C(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)Nc3nccs3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)O)[nH]c2N1c1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C27H20ClN3O2.C23H18F3N3O4S.C21H15Cl2N3O.C20H21ClN4O.C19H18ClN3O.C18H13ClN4OS.C16H11F3N2O3/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;1-14-6-7-15-12-20(22(30)27-17-4-3-5-19(13-17)34(31,32)33-2)28-21(15)29(14)18-10-8-16(9-11-18)23(24,25)26;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;1-14-3-4-15-13-18(20(26)24-11-9-23(2)10-12-24)22-19(15)25(14)17-7-5-16(21)6-8-17;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;1-11-2-3-12-10-15(17(24)22-18-20-8-9-25-18)21-16(12)23(11)14-6-4-13(19)5-7-14;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/h2-17,30H,1H2,(H,29,32);3-13,28H,1H2,2H3,(H,27,30);2-12,25H,1H2,(H,24,27);3-8,13,22H,1,9-12H2,2H3;4-9,12,21H,1-3,10-11H2;2-10,21H,1H2,(H,20,22,24);2-8,20H,1H2,(H,22,23)
• InChIKey: BPRKMRRRJIGMRV-UHFFFAOYSA-N
• XLogP: 36.61
• TPSA: 405.49 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2753.49
LogP ≤ 5	36.61
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate?

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]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate (CID 157423454) 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]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate.

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]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate?

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]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate is C=C1C=Cc2cc(C(=O)N3CCCC3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)N3CCN(C)CC3)[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)Nc3cccc(S(=O)(=O)OC)c3)[nH]c2N1c1ccc(C(F)(F)F)cc1.C=C1C=Cc2cc(C(=O)Nc3nccs3)[nH]c2N1c1ccc(Cl)cc1.C=C1C=Cc2cc(C(=O)O)[nH]c2N1c1ccc(OC(F)(F)F)cc1.

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]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate?

The InChIKey is BPRKMRRRJIGMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O2.C23H18F3N3O4S.C21H15Cl2N3O.C20H21ClN4O.C19H18ClN3O.C18H13ClN4OS.C16H11F3N2O3/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;1-14-6-7-15-12-20(22(30)27-17-4-3-5-19(13-17)34(31,32)33-2)28-21(15)29(14)18-10-8-16(9-11-18)23(24,25)26;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;1-14-3-4-15-13-18(20(26)24-11-9-23(2)10-12-24)22-19(15)25(14)17-7-5-16(21)6-8-17;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;1-11-2-3-12-10-15(17(24)22-18-20-8-9-25-18)21-16(12)23(11)14-6-4-13(19)5-7-14;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/h2-17,30H,1H2,(H,29,32);3-13,28H,1H2,2H3,(H,27,30);2-12,25H,1H2,(H,24,27);3-8,13,22H,1,9-12H2,2H3;4-9,12,21H,1-3,10-11H2;2-10,21H,1H2,(H,20,22,24);2-8,20H,1H2,(H,22,23).

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]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate?

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]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate has a molecular weight of 2753.49 g/mol, XLogP of 36.61, 23 rotatable bonds, 12 hydrogen bond donors, and 22 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]-(4-methylpiperazin-1-yl)methanone;[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-pyrrolidin-1-ylmethanone;7-(4-chlorophenyl)-6-methylidene-N-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;6-methylidene-7-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;methyl 3-[[6-methylidene-7-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carbonyl]amino]benzenesulfonate is sourced from PubChem (CID 157423454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).