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

C74H63F6N9O12Si — CID 157137141

About 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)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]pyridine-3-carbonyl)phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)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 157137141) has the molecular formula C74H63F6N9O12Si and a molecular weight of 1412.44 g/mol. Its IUPAC name is 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)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]pyridine-3-carbonyl)phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)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: 157137141
• Molecular Formula: C74H63F6N9O12Si
• Molecular Weight: 1412.44 g/mol
• Exact Mass: 1411.43
• IUPAC Name: 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)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)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.COC(=O)COc1ccc(F)c(C(=O)c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncc(-c4cccnc4)cc23)c1F.O=C(O)COc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F
• InChI: InChI=1S/C31H35F2N3O4Si.C22H15F2N3O4.C21H13F2N3O4/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;1-30-18(28)11-31-17-5-4-16(23)19(20(17)24)21(29)15-10-27-22-14(15)7-13(9-26-22)12-3-2-6-25-8-12;22-15-3-4-16(30-10-17(27)28)19(23)18(15)20(29)14-9-26-21-13(14)6-12(8-25-21)11-2-1-5-24-7-11/h8-16,18-20H,17H2,1-7H3;2-10H,11H2,1H3,(H,26,27);1-9H,10H2,(H,25,26)(H,27,28)
• InChIKey: AJTDRWWJJVXITF-UHFFFAOYSA-N
• XLogP: 14.47
• TPSA: 282.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 22
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1412.44
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

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]pyridine-3-carbonyl)phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)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]pyridine-3-carbonyl)phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)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 157137141) is 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)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]pyridine-3-carbonyl)phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)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]pyridine-3-carbonyl)phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)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)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.COC(=O)COc1ccc(F)c(C(=O)c2cn([Si](C(C)C)(C(C)C)C(C)C)c3ncc(-c4cccnc4)cc23)c1F.O=C(O)COc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.

What is the InChIKey of 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)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 AJTDRWWJJVXITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F2N3O4Si.C22H15F2N3O4.C21H13F2N3O4/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;1-30-18(28)11-31-17-5-4-16(23)19(20(17)24)21(29)15-10-27-22-14(15)7-13(9-26-22)12-3-2-6-25-8-12;22-15-3-4-16(30-10-17(27)28)19(23)18(15)20(29)14-9-26-21-13(14)6-12(8-25-21)11-2-1-5-24-7-11/h8-16,18-20H,17H2,1-7H3;2-10H,11H2,1H3,(H,26,27);1-9H,10H2,(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]pyridine-3-carbonyl)phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)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]pyridine-3-carbonyl)phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)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 1412.44 g/mol, XLogP of 14.47, 22 rotatable bonds, 3 hydrogen bond donors, and 18 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]pyridine-3-carbonyl)phenoxy]acetic acid;methyl 2-[2,4-difluoro-3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)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 157137141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).