3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]propan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate

C142H145F10N15O8Si3 — CID 161223611

About 3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]propan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate

3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]propan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate (PubChem CID 161223611) has the molecular formula C142H145F10N15O8Si3 and a molecular weight of 2464.06 g/mol. Its IUPAC name is 3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]propan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate.

Molecular Properties

• Compound Name: 3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]propan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate
• PubChem CID: 161223611
• Molecular Formula: C142H145F10N15O8Si3
• Molecular Weight: 2464.06 g/mol
• Exact Mass: 2462.05
• IUPAC Name: 3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]propan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate
• SMILES: CC(=O)COc1ccc(F)c(Cc2c[nH]c3ncc(-c4cccnc4)cc23)c1F.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2c(F)ccc(O)c2F)c2cc(-c3cccnc3)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2c(F)ccc(OCc3ccccc3)c2F)c2cc(-c3cccnc3)cnc21.COC(=O)COc1ccc(F)c(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncc(-c4cccnc4)cc23)c1F.Fc1ccc(OCc2ccccc2)c(F)c1Cc1c[nH]c2ncc(-c3cccnc3)cc12
• InChI: InChI=1S/C35H39F2N3OSi.C31H37F2N3O3Si.C28H33F2N3OSi.C26H19F2N3O.C22H17F2N3O2/c1-23(2)42(24(3)4,25(5)6)40-21-29(30-17-28(20-39-35(30)40)27-13-10-16-38-19-27)18-31-32(36)14-15-33(34(31)37)41-22-26-11-8-7-9-12-26;1-19(2)40(20(3)4,21(5)6)36-17-24(25-13-23(16-35-31(25)36)22-9-8-12-34-15-22)14-26-27(32)10-11-28(30(26)33)39-18-29(37)38-7;1-17(2)35(18(3)4,19(5)6)33-16-22(13-24-25(29)9-10-26(34)27(24)30)23-12-21(15-32-28(23)33)20-8-7-11-31-14-20;27-23-8-9-24(32-16-17-5-2-1-3-6-17)25(28)22(23)12-20-15-31-26-21(20)11-19(14-30-26)18-7-4-10-29-13-18;1-13(28)12-29-20-5-4-19(23)18(21(20)24)8-16-11-27-22-17(16)7-15(10-26-22)14-3-2-6-25-9-14/h7-17,19-21,23-25H,18,22H2,1-6H3;8-13,15-17,19-21H,14,18H2,1-7H3;7-12,14-19,34H,13H2,1-6H3;1-11,13-15H,12,16H2,(H,30,31);2-7,9-11H,8,12H2,1H3,(H,26,27)
• InChIKey: UXVJUTOZEABBGG-UHFFFAOYSA-N
• XLogP: 35.34
• TPSA: 275.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 39
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2464.06
LogP ≤ 5	35.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]propan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate?

The IUPAC name of 3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]propan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate (CID 161223611) is 3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]propan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate.

What is the SMILES notation for 3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]propan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate?

The canonical SMILES for 3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]propan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate is CC(=O)COc1ccc(F)c(Cc2c[nH]c3ncc(-c4cccnc4)cc23)c1F.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2c(F)ccc(O)c2F)c2cc(-c3cccnc3)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(Cc2c(F)ccc(OCc3ccccc3)c2F)c2cc(-c3cccnc3)cnc21.COC(=O)COc1ccc(F)c(Cc2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncc(-c4cccnc4)cc23)c1F.Fc1ccc(OCc2ccccc2)c(F)c1Cc1c[nH]c2ncc(-c3cccnc3)cc12.

What is the InChIKey of 3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]propan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate?

The InChIKey is UXVJUTOZEABBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39F2N3OSi.C31H37F2N3O3Si.C28H33F2N3OSi.C26H19F2N3O.C22H17F2N3O2/c1-23(2)42(24(3)4,25(5)6)40-21-29(30-17-28(20-39-35(30)40)27-13-10-16-38-19-27)18-31-32(36)14-15-33(34(31)37)41-22-26-11-8-7-9-12-26;1-19(2)40(20(3)4,21(5)6)36-17-24(25-13-23(16-35-31(25)36)22-9-8-12-34-15-22)14-26-27(32)10-11-28(30(26)33)39-18-29(37)38-7;1-17(2)35(18(3)4,19(5)6)33-16-22(13-24-25(29)9-10-26(34)27(24)30)23-12-21(15-32-28(23)33)20-8-7-11-31-14-20;27-23-8-9-24(32-16-17-5-2-1-3-6-17)25(28)22(23)12-20-15-31-26-21(20)11-19(14-30-26)18-7-4-10-29-13-18;1-13(28)12-29-20-5-4-19(23)18(21(20)24)8-16-11-27-22-17(16)7-15(10-26-22)14-3-2-6-25-9-14/h7-17,19-21,23-25H,18,22H2,1-6H3;8-13,15-17,19-21H,14,18H2,1-7H3;7-12,14-19,34H,13H2,1-6H3;1-11,13-15H,12,16H2,(H,30,31);2-7,9-11H,8,12H2,1H3,(H,26,27).

What are the key properties of 3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]propan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate?

3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]propan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate has a molecular weight of 2464.06 g/mol, XLogP of 35.34, 39 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;[3-[(2,6-difluoro-3-phenylmethoxyphenyl)methyl]-5-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl]-tri(propan-2-yl)silane;1-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]propan-2-one;2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenol;methyl 2-[2,4-difluoro-3-[[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]phenoxy]acetate is sourced from PubChem (CID 161223611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).