1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,5-difluorophenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,4-dimethylphenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3-propan-2-ylphenyl)pyrrolo[3,2-b]pyridine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]-5-fluorophenyl]propan-1-one;2-[4-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]phenyl]acetamide

C115H89Cl10F8N11O7 — CID 160524600

About 1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,5-difluorophenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,4-dimethylphenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3-propan-2-ylphenyl)pyrrolo[3,2-b]pyridine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]-5-fluorophenyl]propan-1-one;2-[4-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]phenyl]acetamide

1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,5-difluorophenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,4-dimethylphenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3-propan-2-ylphenyl)pyrrolo[3,2-b]pyridine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]-5-fluorophenyl]propan-1-one;2-[4-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]phenyl]acetamide (PubChem CID 160524600) has the molecular formula C115H89Cl10F8N11O7 and a molecular weight of 2243.56 g/mol. Its IUPAC name is 1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,5-difluorophenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,4-dimethylphenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3-propan-2-ylphenyl)pyrrolo[3,2-b]pyridine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]-5-fluorophenyl]propan-1-one;2-[4-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,5-difluorophenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,4-dimethylphenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3-propan-2-ylphenyl)pyrrolo[3,2-b]pyridine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]-5-fluorophenyl]propan-1-one;2-[4-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]phenyl]acetamide
• PubChem CID: 160524600
• Molecular Formula: C115H89Cl10F8N11O7
• Molecular Weight: 2243.56 g/mol
• Exact Mass: 2237.37
• IUPAC Name: 1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,5-difluorophenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,4-dimethylphenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3-propan-2-ylphenyl)pyrrolo[3,2-b]pyridine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]-5-fluorophenyl]propan-1-one;2-[4-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]phenyl]acetamide
• SMILES: CC(C)c1cccc(-c2cnc3ccn(OC(C)c4c(Cl)ccc(F)c4Cl)c3c2)c1.CC(On1ccc2ncc(-c3cc(F)cc(F)c3)cc21)c1c(Cl)ccc(F)c1Cl.CC(On1ccc2ncc(-c3ccc(CC(N)=O)cc3)cc21)c1c(Cl)ccc(F)c1Cl.CCC(=O)c1cc(F)cc(-c2cnc3ccn(OC(C)c4c(Cl)ccc(F)c4Cl)c3c2)c1.Cc1ccc(-c2cnc3ccn(OC(C)c4c(Cl)ccc(F)c4Cl)c3c2)cc1C
• InChI: InChI=1S/C24H18Cl2F2N2O2.C24H21Cl2FN2O.C23H18Cl2FN3O2.C23H19Cl2FN2O.C21H13Cl2F3N2O/c1-3-22(31)15-8-14(9-17(27)10-15)16-11-21-20(29-12-16)6-7-30(21)32-13(2)23-18(25)4-5-19(28)24(23)26;1-14(2)16-5-4-6-17(11-16)18-12-22-21(28-13-18)9-10-29(22)30-15(3)23-19(25)7-8-20(27)24(23)26;1-13(22-17(24)6-7-18(26)23(22)25)31-29-9-8-19-20(29)11-16(12-28-19)15-4-2-14(3-5-15)10-21(27)30;1-13-4-5-16(10-14(13)2)17-11-21-20(27-12-17)8-9-28(21)29-15(3)22-18(24)6-7-19(26)23(22)25;1-11(20-16(22)2-3-17(26)21(20)23)29-28-5-4-18-19(28)8-13(10-27-18)12-6-14(24)9-15(25)7-12/h4-13H,3H2,1-2H3;4-15H,1-3H3;2-9,11-13H,10H2,1H3,(H2,27,30);4-12,15H,1-3H3;2-11H,1H3
• InChIKey: QUSMTOSIKMYNCJ-UHFFFAOYSA-N
• XLogP: 33.47
• TPSA: 195.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 25
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2243.56
LogP ≤ 5	33.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,5-difluorophenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,4-dimethylphenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3-propan-2-ylphenyl)pyrrolo[3,2-b]pyridine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]-5-fluorophenyl]propan-1-one;2-[4-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]phenyl]acetamide?

The IUPAC name of 1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,5-difluorophenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,4-dimethylphenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3-propan-2-ylphenyl)pyrrolo[3,2-b]pyridine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]-5-fluorophenyl]propan-1-one;2-[4-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]phenyl]acetamide (CID 160524600) is 1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,5-difluorophenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,4-dimethylphenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3-propan-2-ylphenyl)pyrrolo[3,2-b]pyridine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]-5-fluorophenyl]propan-1-one;2-[4-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]phenyl]acetamide.

What is the SMILES notation for 1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,5-difluorophenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,4-dimethylphenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3-propan-2-ylphenyl)pyrrolo[3,2-b]pyridine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]-5-fluorophenyl]propan-1-one;2-[4-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]phenyl]acetamide?

The canonical SMILES for 1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,5-difluorophenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,4-dimethylphenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3-propan-2-ylphenyl)pyrrolo[3,2-b]pyridine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]-5-fluorophenyl]propan-1-one;2-[4-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]phenyl]acetamide is CC(C)c1cccc(-c2cnc3ccn(OC(C)c4c(Cl)ccc(F)c4Cl)c3c2)c1.CC(On1ccc2ncc(-c3cc(F)cc(F)c3)cc21)c1c(Cl)ccc(F)c1Cl.CC(On1ccc2ncc(-c3ccc(CC(N)=O)cc3)cc21)c1c(Cl)ccc(F)c1Cl.CCC(=O)c1cc(F)cc(-c2cnc3ccn(OC(C)c4c(Cl)ccc(F)c4Cl)c3c2)c1.Cc1ccc(-c2cnc3ccn(OC(C)c4c(Cl)ccc(F)c4Cl)c3c2)cc1C.

What is the InChIKey of 1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,5-difluorophenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,4-dimethylphenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3-propan-2-ylphenyl)pyrrolo[3,2-b]pyridine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]-5-fluorophenyl]propan-1-one;2-[4-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]phenyl]acetamide?

The InChIKey is QUSMTOSIKMYNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2F2N2O2.C24H21Cl2FN2O.C23H18Cl2FN3O2.C23H19Cl2FN2O.C21H13Cl2F3N2O/c1-3-22(31)15-8-14(9-17(27)10-15)16-11-21-20(29-12-16)6-7-30(21)32-13(2)23-18(25)4-5-19(28)24(23)26;1-14(2)16-5-4-6-17(11-16)18-12-22-21(28-13-18)9-10-29(22)30-15(3)23-19(25)7-8-20(27)24(23)26;1-13(22-17(24)6-7-18(26)23(22)25)31-29-9-8-19-20(29)11-16(12-28-19)15-4-2-14(3-5-15)10-21(27)30;1-13-4-5-16(10-14(13)2)17-11-21-20(27-12-17)8-9-28(21)29-15(3)22-18(24)6-7-19(26)23(22)25;1-11(20-16(22)2-3-17(26)21(20)23)29-28-5-4-18-19(28)8-13(10-27-18)12-6-14(24)9-15(25)7-12/h4-13H,3H2,1-2H3;4-15H,1-3H3;2-9,11-13H,10H2,1H3,(H2,27,30);4-12,15H,1-3H3;2-11H,1H3.

What are the key properties of 1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,5-difluorophenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,4-dimethylphenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3-propan-2-ylphenyl)pyrrolo[3,2-b]pyridine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]-5-fluorophenyl]propan-1-one;2-[4-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]phenyl]acetamide?

1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,5-difluorophenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,4-dimethylphenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3-propan-2-ylphenyl)pyrrolo[3,2-b]pyridine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]-5-fluorophenyl]propan-1-one;2-[4-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]phenyl]acetamide has a molecular weight of 2243.56 g/mol, XLogP of 33.47, 25 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,5-difluorophenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3,4-dimethylphenyl)pyrrolo[3,2-b]pyridine;1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(3-propan-2-ylphenyl)pyrrolo[3,2-b]pyridine;1-[3-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]-5-fluorophenyl]propan-1-one;2-[4-[1-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrrolo[3,2-b]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 160524600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).