2-bromo-1-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]ethanone;deuterioethane;5,8-dimethyl-2-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropane-1-carbonyl chloride;4-methylpyridin-2-amine

C49H56BrClN16O2 — CID 158194211

About 2-bromo-1-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]ethanone;deuterioethane;5,8-dimethyl-2-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropane-1-carbonyl chloride;4-methylpyridin-2-amine

2-bromo-1-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]ethanone;deuterioethane;5,8-dimethyl-2-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropane-1-carbonyl chloride;4-methylpyridin-2-amine (PubChem CID 158194211) has the molecular formula C49H56BrClN16O2 and a molecular weight of 1017.46 g/mol. Its IUPAC name is 2-bromo-1-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]ethanone;deuterioethane;5,8-dimethyl-2-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropane-1-carbonyl chloride;4-methylpyridin-2-amine.

Molecular Properties

• Compound Name: 2-bromo-1-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]ethanone;deuterioethane;5,8-dimethyl-2-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropane-1-carbonyl chloride;4-methylpyridin-2-amine
• PubChem CID: 158194211
• Molecular Formula: C49H56BrClN16O2
• Molecular Weight: 1017.46 g/mol
• Exact Mass: 1015.37
• IUPAC Name: 2-bromo-1-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]ethanone;deuterioethane;5,8-dimethyl-2-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropane-1-carbonyl chloride;4-methylpyridin-2-amine
• SMILES: Cc1ccn2cc(C3CC3c3nc4c(C)ncc(C)n4n3)nc2c1.Cc1ccnc(N)c1.Cc1ncc(C)n2nc(C3CC3C(=O)CBr)nc12.Cc1ncc(C)n2nc(C3CC3C(=O)Cl)nc12.[2H]CC
• InChI: InChI=1S/C18H18N6.C12H13BrN4O.C11H11ClN4O.C6H8N2.C2H6/c1-10-4-5-23-9-15(20-16(23)6-10)13-7-14(13)17-21-18-12(3)19-8-11(2)24(18)22-17;1-6-5-14-7(2)12-15-11(16-17(6)12)9-3-8(9)10(18)4-13;1-5-4-13-6(2)11-14-10(15-16(5)11)8-3-7(8)9(12)17;1-5-2-3-8-6(7)4-5;1-2/h4-6,8-9,13-14H,7H2,1-3H3;5,8-9H,3-4H2,1-2H3;4,7-8H,3H2,1-2H3;2-4H,1H3,(H2,7,8);1-2H3/i;;;;1D
• InChIKey: GADGYTWSXRCZGY-KBJZJHATSA-N
• XLogP: 8.39
• TPSA: 219.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.46
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]ethanone;deuterioethane;5,8-dimethyl-2-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropane-1-carbonyl chloride;4-methylpyridin-2-amine?

The IUPAC name of 2-bromo-1-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]ethanone;deuterioethane;5,8-dimethyl-2-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropane-1-carbonyl chloride;4-methylpyridin-2-amine (CID 158194211) is 2-bromo-1-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]ethanone;deuterioethane;5,8-dimethyl-2-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropane-1-carbonyl chloride;4-methylpyridin-2-amine.

What is the SMILES notation for 2-bromo-1-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]ethanone;deuterioethane;5,8-dimethyl-2-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropane-1-carbonyl chloride;4-methylpyridin-2-amine?

The canonical SMILES for 2-bromo-1-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]ethanone;deuterioethane;5,8-dimethyl-2-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropane-1-carbonyl chloride;4-methylpyridin-2-amine is Cc1ccn2cc(C3CC3c3nc4c(C)ncc(C)n4n3)nc2c1.Cc1ccnc(N)c1.Cc1ncc(C)n2nc(C3CC3C(=O)CBr)nc12.Cc1ncc(C)n2nc(C3CC3C(=O)Cl)nc12.[2H]CC.

What is the InChIKey of 2-bromo-1-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]ethanone;deuterioethane;5,8-dimethyl-2-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropane-1-carbonyl chloride;4-methylpyridin-2-amine?

The InChIKey is GADGYTWSXRCZGY-KBJZJHATSA-N. The full InChI is InChI=1S/C18H18N6.C12H13BrN4O.C11H11ClN4O.C6H8N2.C2H6/c1-10-4-5-23-9-15(20-16(23)6-10)13-7-14(13)17-21-18-12(3)19-8-11(2)24(18)22-17;1-6-5-14-7(2)12-15-11(16-17(6)12)9-3-8(9)10(18)4-13;1-5-4-13-6(2)11-14-10(15-16(5)11)8-3-7(8)9(12)17;1-5-2-3-8-6(7)4-5;1-2/h4-6,8-9,13-14H,7H2,1-3H3;5,8-9H,3-4H2,1-2H3;4,7-8H,3H2,1-2H3;2-4H,1H3,(H2,7,8);1-2H3/i;;;;1D.

What are the key properties of 2-bromo-1-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]ethanone;deuterioethane;5,8-dimethyl-2-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropane-1-carbonyl chloride;4-methylpyridin-2-amine?

2-bromo-1-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]ethanone;deuterioethane;5,8-dimethyl-2-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropane-1-carbonyl chloride;4-methylpyridin-2-amine has a molecular weight of 1017.46 g/mol, XLogP of 8.39, 7 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropyl]ethanone;deuterioethane;5,8-dimethyl-2-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)cyclopropyl]-[1,2,4]triazolo[1,5-a]pyrazine;2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)cyclopropane-1-carbonyl chloride;4-methylpyridin-2-amine is sourced from PubChem (CID 158194211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).