2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate

C74H67F6N9O10Si — CID 160823492

About 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate

2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate (PubChem CID 160823492) has the molecular formula C74H67F6N9O10Si and a molecular weight of 1384.48 g/mol. Its IUPAC name is 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate.

Molecular Properties

• Compound Name: 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate
• PubChem CID: 160823492
• Molecular Formula: C74H67F6N9O10Si
• Molecular Weight: 1384.48 g/mol
• Exact Mass: 1383.47
• IUPAC Name: 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate
• SMILES: COC(=O)COc1ccc(F)c(C(=O)c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncc(-c4cccnc4)cc23)c1F.COC(=O)COc1ccc(F)c(Cc2c[nH]c3ncc(-c4cccnc4)cc23)c1F.O=C(O)COc1ccc(F)c(Cc2c[nH]c3ncc(-c4cccnc4)cc23)c1F
• InChI: InChI=1S/C31H35F2N3O4Si.C22H17F2N3O3.C21H15F2N3O3/c1-18(2)41(19(3)4,20(5)6)36-16-24(23-13-22(15-35-31(23)36)21-9-8-12-34-14-21)30(38)28-25(32)10-11-26(29(28)33)40-17-27(37)39-7;1-29-20(28)12-30-19-5-4-18(23)17(21(19)24)8-15-11-27-22-16(15)7-14(10-26-22)13-3-2-6-25-9-13;22-17-3-4-18(29-11-19(27)28)20(23)16(17)7-14-10-26-21-15(14)6-13(9-25-21)12-2-1-5-24-8-12/h8-16,18-20H,17H2,1-7H3;2-7,9-11H,8,12H2,1H3,(H,26,27);1-6,8-10H,7,11H2,(H,25,26)(H,27,28)
• InChIKey: SFVUOSHLIUSESW-UHFFFAOYSA-N
• XLogP: 15.19
• TPSA: 248.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1384.48
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate?

The IUPAC name of 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate (CID 160823492) is 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate.

What is the SMILES notation for 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate?

The canonical SMILES for 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate is COC(=O)COc1ccc(F)c(C(=O)c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncc(-c4cccnc4)cc23)c1F.COC(=O)COc1ccc(F)c(Cc2c[nH]c3ncc(-c4cccnc4)cc23)c1F.O=C(O)COc1ccc(F)c(Cc2c[nH]c3ncc(-c4cccnc4)cc23)c1F.

What is the InChIKey of 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate?

The InChIKey is SFVUOSHLIUSESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F2N3O4Si.C22H17F2N3O3.C21H15F2N3O3/c1-18(2)41(19(3)4,20(5)6)36-16-24(23-13-22(15-35-31(23)36)21-9-8-12-34-14-21)30(38)28-25(32)10-11-26(29(28)33)40-17-27(37)39-7;1-29-20(28)12-30-19-5-4-18(23)17(21(19)24)8-15-11-27-22-16(15)7-14(10-26-22)13-3-2-6-25-9-13;22-17-3-4-18(29-11-19(27)28)20(23)16(17)7-14-10-26-21-15(14)6-13(9-25-21)12-2-1-5-24-8-12/h8-16,18-20H,17H2,1-7H3;2-7,9-11H,8,12H2,1H3,(H,26,27);1-6,8-10H,7,11H2,(H,25,26)(H,27,28).

What are the key properties of 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate?

2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate has a molecular weight of 1384.48 g/mol, XLogP of 15.19, 22 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-[(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenoxy]acetate;methyl 2-[2,4-difluoro-3-[5-pyridin-3-yl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]phenoxy]acetate is sourced from PubChem (CID 160823492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).