4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-4-chloro-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;(3E)-3-(furan-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one

C122H91Br2Cl3N22O10S3 — CID 158550440

About 4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-4-chloro-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;(3E)-3-(furan-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one

4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-4-chloro-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;(3E)-3-(furan-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 158550440) has the molecular formula C122H91Br2Cl3N22O10S3 and a molecular weight of 2387.58 g/mol. Its IUPAC name is 4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-4-chloro-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;(3E)-3-(furan-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

• Compound Name: 4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-4-chloro-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;(3E)-3-(furan-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one
• PubChem CID: 158550440
• Molecular Formula: C122H91Br2Cl3N22O10S3
• Molecular Weight: 2387.58 g/mol
• Exact Mass: 2382.39
• IUPAC Name: 4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-4-chloro-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;(3E)-3-(furan-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one
• SMILES: CN(C)c1ccc(C=C2C(=O)Nc3cccnc32)cc1.CN(C)c1ccc(C=C2C(=O)Nc3nccc(Cl)c32)cc1.CN(C)c1ccc(C=C2C(=O)Nc3ncccc32)cc1.O=C1Nc2cccnc2/C1=C/c1cccs1.O=C1Nc2nccc(Cl)c2/C1=C/c1cccs1.O=C1Nc2nccc(Cl)c2C1=Cc1cc(Br)cc(Br)c1.O=C1Nc2ncccc2/C1=C/c1ccc[nH]1.O=C1Nc2ncccc2/C1=C/c1cccs1.O=C1Nc2ncccc2/C1=C\c1ccco1
• InChI: InChI=1S/C16H14ClN3O.2C16H15N3O.C14H7Br2ClN2O.C12H7ClN2OS.C12H9N3O.C12H8N2O2.2C12H8N2OS/c1-20(2)11-5-3-10(4-6-11)9-12-14-13(17)7-8-18-15(14)19-16(12)21;1-19(2)12-7-5-11(6-8-12)10-13-15-14(18-16(13)20)4-3-9-17-15;1-19(2)12-7-5-11(6-8-12)10-14-13-4-3-9-17-15(13)18-16(14)20;15-8-3-7(4-9(16)6-8)5-10-12-11(17)1-2-18-13(12)19-14(10)20;13-9-3-4-14-11-10(9)8(12(16)15-11)6-7-2-1-5-17-7;16-12-10(7-8-3-1-5-13-8)9-4-2-6-14-11(9)15-12;15-12-10(7-8-3-2-6-16-8)9-4-1-5-13-11(9)14-12;15-12-9(7-8-3-2-6-16-8)11-10(14-12)4-1-5-13-11;15-12-10(7-8-3-2-6-16-8)9-4-1-5-13-11(9)14-12/h3-9H,1-2H3,(H,18,19,21);3-10H,1-2H3,(H,18,20);3-10H,1-2H3,(H,17,18,20);1-6H,(H,18,19,20);1-6H,(H,14,15,16);1-7,13H,(H,14,15,16);1-7H,(H,13,14,15);1-7H,(H,14,15);1-7H,(H,13,14,15)/b;;;;8-6-;10-7-;10-7+;9-7-;10-7-
• InChIKey: HPQNTZLLKNWLCL-ZSQABBLYSA-N
• XLogP: 25.96
• TPSA: 416.56 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2387.58
LogP ≤ 5	25.96
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-4-chloro-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;(3E)-3-(furan-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one?

The IUPAC name of 4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-4-chloro-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;(3E)-3-(furan-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one (CID 158550440) is 4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-4-chloro-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;(3E)-3-(furan-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one.

What is the SMILES notation for 4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-4-chloro-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;(3E)-3-(furan-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one?

The canonical SMILES for 4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-4-chloro-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;(3E)-3-(furan-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one is CN(C)c1ccc(C=C2C(=O)Nc3cccnc32)cc1.CN(C)c1ccc(C=C2C(=O)Nc3nccc(Cl)c32)cc1.CN(C)c1ccc(C=C2C(=O)Nc3ncccc32)cc1.O=C1Nc2cccnc2/C1=C/c1cccs1.O=C1Nc2nccc(Cl)c2/C1=C/c1cccs1.O=C1Nc2nccc(Cl)c2C1=Cc1cc(Br)cc(Br)c1.O=C1Nc2ncccc2/C1=C/c1ccc[nH]1.O=C1Nc2ncccc2/C1=C/c1cccs1.O=C1Nc2ncccc2/C1=C\c1ccco1.

What is the InChIKey of 4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-4-chloro-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;(3E)-3-(furan-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one?

The InChIKey is HPQNTZLLKNWLCL-ZSQABBLYSA-N. The full InChI is InChI=1S/C16H14ClN3O.2C16H15N3O.C14H7Br2ClN2O.C12H7ClN2OS.C12H9N3O.C12H8N2O2.2C12H8N2OS/c1-20(2)11-5-3-10(4-6-11)9-12-14-13(17)7-8-18-15(14)19-16(12)21;1-19(2)12-7-5-11(6-8-12)10-13-15-14(18-16(13)20)4-3-9-17-15;1-19(2)12-7-5-11(6-8-12)10-14-13-4-3-9-17-15(13)18-16(14)20;15-8-3-7(4-9(16)6-8)5-10-12-11(17)1-2-18-13(12)19-14(10)20;13-9-3-4-14-11-10(9)8(12(16)15-11)6-7-2-1-5-17-7;16-12-10(7-8-3-1-5-13-8)9-4-2-6-14-11(9)15-12;15-12-10(7-8-3-2-6-16-8)9-4-1-5-13-11(9)14-12;15-12-9(7-8-3-2-6-16-8)11-10(14-12)4-1-5-13-11;15-12-10(7-8-3-2-6-16-8)9-4-1-5-13-11(9)14-12/h3-9H,1-2H3,(H,18,19,21);3-10H,1-2H3,(H,18,20);3-10H,1-2H3,(H,17,18,20);1-6H,(H,18,19,20);1-6H,(H,14,15,16);1-7,13H,(H,14,15,16);1-7H,(H,13,14,15);1-7H,(H,14,15);1-7H,(H,13,14,15)/b;;;;8-6-;10-7-;10-7+;9-7-;10-7-.

What are the key properties of 4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-4-chloro-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;(3E)-3-(furan-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one?

4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-4-chloro-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;(3E)-3-(furan-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 2387.58 g/mol, XLogP of 25.96, 12 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-[(3,5-dibromophenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-4-chloro-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;(3E)-3-(furan-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(thiophen-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 158550440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).