2-(5-amino-2-pyridinyl)-2-methylpropanenitrile;5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine;N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide;2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetic acid;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate

C72H66BBrF6N10O7 — CID 159324615

About 2-(5-amino-2-pyridinyl)-2-methylpropanenitrile;5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine;N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide;2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetic acid;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate

2-(5-amino-2-pyridinyl)-2-methylpropanenitrile;5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine;N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide;2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetic acid;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate (PubChem CID 159324615) has the molecular formula C72H66BBrF6N10O7 and a molecular weight of 1388.09 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-2-methylpropanenitrile;5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine;N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide;2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetic acid;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate.

Molecular Properties

• Compound Name: 2-(5-amino-2-pyridinyl)-2-methylpropanenitrile;5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine;N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide;2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetic acid;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
• PubChem CID: 159324615
• Molecular Formula: C72H66BBrF6N10O7
• Molecular Weight: 1388.09 g/mol
• Exact Mass: 1386.43
• IUPAC Name: 2-(5-amino-2-pyridinyl)-2-methylpropanenitrile;5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine;N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide;2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetic acid;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate
• SMILES: CC(C)(C#N)c1ccc(N)cn1.CC(C)(C#N)c1ccc(NC(=O)Cc2ccc(-c3cnc4c(c3)C(F)=CC4)cc2F)cn1.COC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F.Fc1c[nH]c2ncc(Br)cc12.O=C(O)Cc1ccc(-c2cnc3c(c2)C(F)=CC3)cc1F
• InChI: InChI=1S/C25H20F2N4O.C16H11F2NO2.C15H20BFO4.C9H11N3.C7H4BrFN2/c1-25(2,14-28)23-8-5-18(13-30-23)31-24(32)11-16-4-3-15(10-21(16)27)17-9-19-20(26)6-7-22(19)29-12-17;17-13-3-4-15-12(13)5-11(8-19-15)9-1-2-10(7-16(20)21)14(18)6-9;1-14(2)15(3,4)21-16(20-14)11-7-6-10(12(17)9-11)8-13(18)19-5;1-9(2,6-10)8-4-3-7(11)5-12-8;8-4-1-5-6(9)3-11-7(5)10-2-4/h3-6,8-10,12-13H,7,11H2,1-2H3,(H,31,32);1-3,5-6,8H,4,7H2,(H,20,21);6-7,9H,8H2,1-5H3;3-5H,11H2,1-2H3;1-3H,(H,10,11)
• InChIKey: LEEUQUQHUQYSBX-UHFFFAOYSA-N
• XLogP: 14.28
• TPSA: 265.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1388.09
LogP ≤ 5	14.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-2-methylpropanenitrile;5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine;N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide;2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetic acid;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate?

The IUPAC name of 2-(5-amino-2-pyridinyl)-2-methylpropanenitrile;5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine;N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide;2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetic acid;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate (CID 159324615) is 2-(5-amino-2-pyridinyl)-2-methylpropanenitrile;5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine;N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide;2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetic acid;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate.

What is the SMILES notation for 2-(5-amino-2-pyridinyl)-2-methylpropanenitrile;5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine;N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide;2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetic acid;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate?

The canonical SMILES for 2-(5-amino-2-pyridinyl)-2-methylpropanenitrile;5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine;N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide;2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetic acid;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate is CC(C)(C#N)c1ccc(N)cn1.CC(C)(C#N)c1ccc(NC(=O)Cc2ccc(-c3cnc4c(c3)C(F)=CC4)cc2F)cn1.COC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F.Fc1c[nH]c2ncc(Br)cc12.O=C(O)Cc1ccc(-c2cnc3c(c2)C(F)=CC3)cc1F.

What is the InChIKey of 2-(5-amino-2-pyridinyl)-2-methylpropanenitrile;5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine;N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide;2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetic acid;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate?

The InChIKey is LEEUQUQHUQYSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O.C16H11F2NO2.C15H20BFO4.C9H11N3.C7H4BrFN2/c1-25(2,14-28)23-8-5-18(13-30-23)31-24(32)11-16-4-3-15(10-21(16)27)17-9-19-20(26)6-7-22(19)29-12-17;17-13-3-4-15-12(13)5-11(8-19-15)9-1-2-10(7-16(20)21)14(18)6-9;1-14(2)15(3,4)21-16(20-14)11-7-6-10(12(17)9-11)8-13(18)19-5;1-9(2,6-10)8-4-3-7(11)5-12-8;8-4-1-5-6(9)3-11-7(5)10-2-4/h3-6,8-10,12-13H,7,11H2,1-2H3,(H,31,32);1-3,5-6,8H,4,7H2,(H,20,21);6-7,9H,8H2,1-5H3;3-5H,11H2,1-2H3;1-3H,(H,10,11).

What are the key properties of 2-(5-amino-2-pyridinyl)-2-methylpropanenitrile;5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine;N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide;2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetic acid;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate?

2-(5-amino-2-pyridinyl)-2-methylpropanenitrile;5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine;N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide;2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetic acid;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate has a molecular weight of 1388.09 g/mol, XLogP of 14.28, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-amino-2-pyridinyl)-2-methylpropanenitrile;5-bromo-3-fluoro-1H-pyrrolo[2,3-b]pyridine;N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetamide;2-[2-fluoro-4-(5-fluoro-7H-cyclopenta[b]pyridin-3-yl)phenyl]acetic acid;methyl 2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate is sourced from PubChem (CID 159324615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).