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

C90H78Cl2N16O10 — CID 158808042

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

4-chloro-3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 158808042) has the molecular formula C90H78Cl2N16O10 and a molecular weight of 1614.62 g/mol. Its IUPAC name is 4-chloro-3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

• Compound Name: 4-chloro-3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one
• PubChem CID: 158808042
• Molecular Formula: C90H78Cl2N16O10
• Molecular Weight: 1614.62 g/mol
• Exact Mass: 1612.55
• IUPAC Name: 4-chloro-3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one
• SMILES: CN(C)c1ccc(C=C2C(=O)Nc3nccc(Cl)c32)cc1.CN(C)c1ccc(C=C2C(=O)Nc3ncccc32)cc1.COc1cc(C=C2C(=O)Nc3cccnc32)cc(OC)c1C.COc1cc(C=C2C(=O)Nc3nccc(Cl)c32)cc(OC)c1C.O=C1Nc2cccnc2/C1=C/c1ccc[nH]1.O=C1Nc2ncccc2/C1=C/c1ccc[nH]1
• InChI: InChI=1S/C17H15ClN2O3.C17H16N2O3.C16H14ClN3O.C16H15N3O.2C12H9N3O/c1-9-13(22-2)7-10(8-14(9)23-3)6-11-15-12(18)4-5-19-16(15)20-17(11)21;1-10-14(21-2)8-11(9-15(10)22-3)7-12-16-13(19-17(12)20)5-4-6-18-16;1-20(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)10-14-13-4-3-9-17-15(13)18-16(14)20;16-12-9(7-8-3-1-5-13-8)11-10(15-12)4-2-6-14-11;16-12-10(7-8-3-1-5-13-8)9-4-2-6-14-11(9)15-12/h4-8H,1-3H3,(H,19,20,21);4-9H,1-3H3,(H,19,20);3-9H,1-2H3,(H,18,19,21);3-10H,1-2H3,(H,17,18,20);1-7,13H,(H,15,16);1-7,13H,(H,14,15,16)/b;;;;9-7-;10-7-
• InChIKey: IUIGHDFMMPPWCL-CIAPHNNOSA-N
• XLogP: 16.19
• TPSA: 326.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1614.62
LogP ≤ 5	16.19
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

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-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one?

The IUPAC name of 4-chloro-3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one (CID 158808042) is 4-chloro-3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one.

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

The canonical SMILES for 4-chloro-3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one is CN(C)c1ccc(C=C2C(=O)Nc3nccc(Cl)c32)cc1.CN(C)c1ccc(C=C2C(=O)Nc3ncccc32)cc1.COc1cc(C=C2C(=O)Nc3cccnc32)cc(OC)c1C.COc1cc(C=C2C(=O)Nc3nccc(Cl)c32)cc(OC)c1C.O=C1Nc2cccnc2/C1=C/c1ccc[nH]1.O=C1Nc2ncccc2/C1=C/c1ccc[nH]1.

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

The InChIKey is IUIGHDFMMPPWCL-CIAPHNNOSA-N. The full InChI is InChI=1S/C17H15ClN2O3.C17H16N2O3.C16H14ClN3O.C16H15N3O.2C12H9N3O/c1-9-13(22-2)7-10(8-14(9)23-3)6-11-15-12(18)4-5-19-16(15)20-17(11)21;1-10-14(21-2)8-11(9-15(10)22-3)7-12-16-13(19-17(12)20)5-4-6-18-16;1-20(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)10-14-13-4-3-9-17-15(13)18-16(14)20;16-12-9(7-8-3-1-5-13-8)11-10(15-12)4-2-6-14-11;16-12-10(7-8-3-1-5-13-8)9-4-2-6-14-11(9)15-12/h4-8H,1-3H3,(H,19,20,21);4-9H,1-3H3,(H,19,20);3-9H,1-2H3,(H,18,19,21);3-10H,1-2H3,(H,17,18,20);1-7,13H,(H,15,16);1-7,13H,(H,14,15,16)/b;;;;9-7-;10-7-.

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

4-chloro-3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 1614.62 g/mol, XLogP of 16.19, 12 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;4-chloro-3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;3-[(3,5-dimethoxy-4-methylphenyl)methylidene]-1H-pyrrolo[3,2-b]pyridin-2-one;3-[[4-(dimethylamino)phenyl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 158808042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).