5-bromo-3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C66H74B3Br2F6N15O10 — CID 157095905

About 5-bromo-3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157095905) has the molecular formula C66H74B3Br2F6N15O10 and a molecular weight of 1543.64 g/mol. Its IUPAC name is 5-bromo-3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 5-bromo-3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157095905
• Molecular Formula: C66H74B3Br2F6N15O10
• Molecular Weight: 1543.64 g/mol
• Exact Mass: 1541.43
• IUPAC Name: 5-bromo-3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.C[C@H](N)c1ccc(-n2cc(F)cn2)nc1.C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)c1ccc(-n2cc(F)cn2)nc1.C[C@H](NC(=O)c1ncc(Br)cc1F)c1ccc(-n2cc(F)cn2)nc1.O=C(O)c1ncc(Br)cc1F
• InChI: InChI=1S/C22H24BF2N5O3.C16H12BrF2N5O.C12H24B2O4.C10H11FN4.C6H3BrFNO2/c1-13(14-6-7-18(26-9-14)30-12-16(24)11-28-30)29-20(31)19-17(25)8-15(10-27-19)23-32-21(2,3)22(4,5)33-23;1-9(23-16(25)15-13(19)4-11(17)6-21-15)10-2-3-14(20-5-10)24-8-12(18)7-22-24;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7(12)8-2-3-10(13-4-8)15-6-9(11)5-14-15;7-3-1-4(8)5(6(10)11)9-2-3/h6-13H,1-5H3,(H,29,31);2-9H,1H3,(H,23,25);1-8H3;2-7H,12H2,1H3;1-2H,(H,10,11)/t13-;9-;;7-;/m00.0./s1
• InChIKey: AFEZKKMCPKNQSD-RXVUNAAMSA-N
• XLogP: 11.28
• TPSA: 307.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1543.64
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 5-bromo-3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157095905) is 5-bromo-3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 5-bromo-3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 5-bromo-3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.C[C@H](N)c1ccc(-n2cc(F)cn2)nc1.C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F)c1ccc(-n2cc(F)cn2)nc1.C[C@H](NC(=O)c1ncc(Br)cc1F)c1ccc(-n2cc(F)cn2)nc1.O=C(O)c1ncc(Br)cc1F.

What is the InChIKey of 5-bromo-3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is AFEZKKMCPKNQSD-RXVUNAAMSA-N. The full InChI is InChI=1S/C22H24BF2N5O3.C16H12BrF2N5O.C12H24B2O4.C10H11FN4.C6H3BrFNO2/c1-13(14-6-7-18(26-9-14)30-12-16(24)11-28-30)29-20(31)19-17(25)8-15(10-27-19)23-32-21(2,3)22(4,5)33-23;1-9(23-16(25)15-13(19)4-11(17)6-21-15)10-2-3-14(20-5-10)24-8-12(18)7-22-24;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7(12)8-2-3-10(13-4-8)15-6-9(11)5-14-15;7-3-1-4(8)5(6(10)11)9-2-3/h6-13H,1-5H3,(H,29,31);2-9H,1H3,(H,23,25);1-8H3;2-7H,12H2,1H3;1-2H,(H,10,11)/t13-;9-;;7-;/m00.0./s1.

What are the key properties of 5-bromo-3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

5-bromo-3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1543.64 g/mol, XLogP of 11.28, 13 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-bromo-3-fluoropyridine-2-carboxylic acid;3-fluoro-N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 157095905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).