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

C71H72BBr2N21O3 — CID 159762963

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

2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;3-isocyano-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide (PubChem CID 159762963) has the molecular formula C71H72BBr2N21O3 and a molecular weight of 1438.12 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;3-isocyano-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide.

Molecular Properties

• Compound Name: 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;3-isocyano-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide
• PubChem CID: 159762963
• Molecular Formula: C71H72BBr2N21O3
• Molecular Weight: 1438.12 g/mol
• Exact Mass: 1435.46
• IUPAC Name: 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;3-isocyano-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide
• SMILES: C.C.Cc1cccc(-c2[nH]ncc2Br)n1.Cc1cccc(-c2nn(C)cc2-c2ccc3ncc(NC=O)n3c2)n1.Cc1cccc(-c2nn(C)cc2Br)n1.[C-]#[N+]c1cnc2ccc(-c3cn(C)nc3-c3cccc(C)n3)cn12.[C-]#[N+]c1cnc2ccc(B3OC(C)(C)C(C)(C)O3)cn12
• InChI: InChI=1S/C18H16N6O.C18H14N6.C14H16BN3O2.C10H10BrN3.C9H8BrN3.2CH4/c1-12-4-3-5-15(21-12)18-14(10-23(2)22-18)13-6-7-16-19-8-17(20-11-25)24(16)9-13;1-12-5-4-6-15(21-12)18-14(11-23(3)22-18)13-7-8-16-20-9-17(19-2)24(16)10-13;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-7-4-3-5-9(12-7)10-8(11)6-14(2)13-10;1-6-3-2-4-8(12-6)9-7(10)5-11-13-9;;/h3-11H,1-2H3,(H,20,25);4-11H,1,3H3;6-9H,1-4H3;3-6H,1-2H3;2-5H,1H3,(H,11,13);2*1H4
• InChIKey: NFCYTFDUHDFGPS-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 241.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 9
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1438.12
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

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'}

Frequently Asked Questions

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

The IUPAC name of 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;3-isocyano-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide (CID 159762963) is 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;3-isocyano-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide.

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

The canonical SMILES for 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;3-isocyano-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide is C.C.Cc1cccc(-c2[nH]ncc2Br)n1.Cc1cccc(-c2nn(C)cc2-c2ccc3ncc(NC=O)n3c2)n1.Cc1cccc(-c2nn(C)cc2Br)n1.[C-]#[N+]c1cnc2ccc(-c3cn(C)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-methylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;3-isocyano-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide?

The InChIKey is NFCYTFDUHDFGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O.C18H14N6.C14H16BN3O2.C10H10BrN3.C9H8BrN3.2CH4/c1-12-4-3-5-15(21-12)18-14(10-23(2)22-18)13-6-7-16-19-8-17(20-11-25)24(16)9-13;1-12-5-4-6-15(21-12)18-14(11-23(3)22-18)13-7-8-16-20-9-17(19-2)24(16)10-13;1-13(2)14(3,4)20-15(19-13)10-6-7-11-17-8-12(16-5)18(11)9-10;1-7-4-3-5-9(12-7)10-8(11)6-14(2)13-10;1-6-3-2-4-8(12-6)9-7(10)5-11-13-9;;/h3-11H,1-2H3,(H,20,25);4-11H,1,3H3;6-9H,1-4H3;3-6H,1-2H3;2-5H,1H3,(H,11,13);2*1H4.

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

2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;3-isocyano-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide has a molecular weight of 1438.12 g/mol, XLogP of 14.88, 9 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-1-methylpyrazol-3-yl)-6-methylpyridine;2-(4-bromo-1H-pyrazol-5-yl)-6-methylpyridine;3-isocyano-6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridine;3-isocyano-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;methane;N-[6-[1-methyl-3-(6-methyl-2-pyridinyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]formamide is sourced from PubChem (CID 159762963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).