N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane

C41H38BBrF2N10O6 — CID 159062164

About N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane

N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane (PubChem CID 159062164) has the molecular formula C41H38BBrF2N10O6 and a molecular weight of 895.53 g/mol. Its IUPAC name is N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane.

Molecular Properties

• Compound Name: N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane
• PubChem CID: 159062164
• Molecular Formula: C41H38BBrF2N10O6
• Molecular Weight: 895.53 g/mol
• Exact Mass: 894.22
• IUPAC Name: N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane
• SMILES: C.Cn1nc(-c2ccco2)cc1-c1ccc(NC(=O)c2ccccc2F)nc1N.Cn1nc(-c2ccco2)cc1B(O)O.Nc1nc(NC(=O)c2ccccc2F)ccc1Br
• InChI: InChI=1S/C20H16FN5O2.C12H9BrFN3O.C8H9BN2O3.CH4/c1-26-16(11-15(25-26)17-7-4-10-28-17)13-8-9-18(23-19(13)22)24-20(27)12-5-2-3-6-14(12)21;13-8-5-6-10(16-11(8)15)17-12(18)7-3-1-2-4-9(7)14;1-11-8(9(12)13)5-6(10-11)7-3-2-4-14-7;/h2-11H,1H3,(H3,22,23,24,27);1-6H,(H3,15,16,17,18);2-5,12-13H,1H3;1H4
• InChIKey: JYPLLGKRNGSREQ-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 238.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	895.53
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	6
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 N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane?

The IUPAC name of N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane (CID 159062164) is N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane.

What is the SMILES notation for N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane?

The canonical SMILES for N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane is C.Cn1nc(-c2ccco2)cc1-c1ccc(NC(=O)c2ccccc2F)nc1N.Cn1nc(-c2ccco2)cc1B(O)O.Nc1nc(NC(=O)c2ccccc2F)ccc1Br.

What is the InChIKey of N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane?

The InChIKey is JYPLLGKRNGSREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2.C12H9BrFN3O.C8H9BN2O3.CH4/c1-26-16(11-15(25-26)17-7-4-10-28-17)13-8-9-18(23-19(13)22)24-20(27)12-5-2-3-6-14(12)21;13-8-5-6-10(16-11(8)15)17-12(18)7-3-1-2-4-9(7)14;1-11-8(9(12)13)5-6(10-11)7-3-2-4-14-7;/h2-11H,1H3,(H3,22,23,24,27);1-6H,(H3,15,16,17,18);2-5,12-13H,1H3;1H4.

What are the key properties of N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane?

N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane has a molecular weight of 895.53 g/mol, XLogP of 6.53, 8 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-amino-5-bromo-2-pyridinyl)-2-fluorobenzamide;N-[6-amino-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-2-pyridinyl]-2-fluorobenzamide;[3-(furan-2-yl)-1-methylpyrazol-5-yl]boronic acid;methane is sourced from PubChem (CID 159062164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).