2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;N-[6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane

C76H79BBr2F3N21O6S — CID 157058004

About 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;N-[6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane

2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;N-[6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane (PubChem CID 157058004) has the molecular formula C76H79BBr2F3N21O6S and a molecular weight of 1642.29 g/mol. Its IUPAC name is 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;N-[6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane.

Molecular Properties

• Compound Name: 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;N-[6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane
• PubChem CID: 157058004
• Molecular Formula: C76H79BBr2F3N21O6S
• Molecular Weight: 1642.29 g/mol
• Exact Mass: 1639.47
• IUPAC Name: 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;N-[6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane
• SMILES: C.CCOS(=O)(=O)C(F)(F)F.CCn1cc(-c2ccc3ncc(NC=O)n3c2)c(-c2cccc(C)n2)n1.CCn1cc(Br)c(-c2cccc(C)n2)n1.Cc1cccc(-c2[nH]ncc2Br)n1.[C-]#[N+]c1cnc2ccc(-c3cn(CC)nc3-c3cccc(C)n3)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12
• InChI: InChI=1S/C19H18N6O.C19H16N6.C14H16BN3O2.C11H12BrN3.C9H8BrN3.C3H5F3O3S.CH4/c1-3-24-11-15(19(23-24)16-6-4-5-13(2)22-16)14-7-8-17-20-9-18(21-12-26)25(17)10-14;1-4-24-12-15(19(23-24)16-7-5-6-13(2)22-16)14-8-9-17-21-10-18(20-3)25(17)11-14;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-3-15-7-9(12)11(14-15)10-6-4-5-8(2)13-10;1-6-3-2-4-8(12-6)9-7(10)5-11-13-9;1-2-9-10(7,8)3(4,5)6;/h4-12H,3H2,1-2H3,(H,21,26);5-12H,4H2,1-2H3;6-9H,1-4H3;4-7H,3H2,1-2H3;2-5H,1H3,(H,11,13);2H2,1H3;1H4
• InChIKey: AAZHPSOHCDCBHT-UHFFFAOYSA-N
• XLogP: 16.57
• TPSA: 285.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1642.29
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;N-[6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane?

The IUPAC name of 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;N-[6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane (CID 157058004) is 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;N-[6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane.

What is the SMILES notation for 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;N-[6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane?

The canonical SMILES for 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;N-[6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane is C.CCOS(=O)(=O)C(F)(F)F.CCn1cc(-c2ccc3ncc(NC=O)n3c2)c(-c2cccc(C)n2)n1.CCn1cc(Br)c(-c2cccc(C)n2)n1.Cc1cccc(-c2[nH]ncc2Br)n1.[C-]#[N+]c1cnc2ccc(-c3cn(CC)nc3-c3cccc(C)n3)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12.

What is the InChIKey of 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;N-[6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane?

The InChIKey is AAZHPSOHCDCBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O.C19H16N6.C14H16BN3O2.C11H12BrN3.C9H8BrN3.C3H5F3O3S.CH4/c1-3-24-11-15(19(23-24)16-6-4-5-13(2)22-16)14-7-8-17-20-9-18(21-12-26)25(17)10-14;1-4-24-12-15(19(23-24)16-7-5-6-13(2)22-16)14-8-9-17-21-10-18(20-3)25(17)11-14;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-3-15-7-9(12)11(14-15)10-6-4-5-8(2)13-10;1-6-3-2-4-8(12-6)9-7(10)5-11-13-9;1-2-9-10(7,8)3(4,5)6;/h4-12H,3H2,1-2H3,(H,21,26);5-12H,4H2,1-2H3;6-9H,1-4H3;4-7H,3H2,1-2H3;2-5H,1H3,(H,11,13);2H2,1H3;1H4.

What are the key properties of 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;N-[6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane?

2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;N-[6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane has a molecular weight of 1642.29 g/mol, XLogP of 16.57, 14 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;N-[6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide;6-[1-ethyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine;ethyl trifluoromethanesulfonate;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane is sourced from PubChem (CID 157058004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).