3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine

C34H32BBr2F3N12O6S — CID 160982704

IUPAC3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine
SMILESCB(O)O.Cc1ccc(S(=O)(=O)N=c2cnc(Br)cn2CC(N)=O)cc1.Nc1cn2cc(-c3ccncc3)ncc2n1.O=C(Cc1cn2cc(Br)ncc2n1)C(F)(F)F
InChIInChI=1S/C13H13BrN4O3S.C11H9N5.C9H5BrF3N3O.CH5BO2/c1-9-2-4-10(5-3-9)22(20,21)17-13-6-16-11(14)7-18(13)8-12(15)19;12-10-7-16-6-9(14-5-11(16)15-10)8-1-3-13-4-2-8;10-7-4-16-3-5(15-8(16)2-14-7)1-6(17)9(11,12)13;1-2(3)4/h2-7H,8H2,1H3,(H2,15,19);1-7H,12H2;2-4H,1H2;3-4H,1H3
InChIKeySZSJQLYLEYZBPQ-UHFFFAOYSA-N
MW964.39 g/mol
LogP3.36
Rot. Bonds7

About 3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine

3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine (PubChem CID 160982704) has the molecular formula C34H32BBr2F3N12O6S and a molecular weight of 964.39 g/mol. Its IUPAC name is 3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine.

Molecular Properties

Compound Name3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine
PubChem CID160982704
Molecular FormulaC34H32BBr2F3N12O6S
Molecular Weight964.39 g/mol
Exact Mass962.07
IUPAC Name3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine
SMILESCB(O)O.Cc1ccc(S(=O)(=O)N=c2cnc(Br)cn2CC(N)=O)cc1.Nc1cn2cc(-c3ccncc3)ncc2n1.O=C(Cc1cn2cc(Br)ncc2n1)C(F)(F)F
InChIInChI=1S/C13H13BrN4O3S.C11H9N5.C9H5BrF3N3O.CH5BO2/c1-9-2-4-10(5-3-9)22(20,21)17-13-6-16-11(14)7-18(13)8-12(15)19;12-10-7-16-6-9(14-5-11(16)15-10)8-1-3-13-4-2-8;10-7-4-16-3-5(15-8(16)2-14-7)1-6(17)9(11,12)13;1-2(3)4/h2-7H,8H2,1H3,(H2,15,19);1-7H,12H2;2-4H,1H2;3-4H,1H3
InChIKeySZSJQLYLEYZBPQ-UHFFFAOYSA-N
XLogP3.36
TPSA264.23 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.39
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-methylimidazo[1,2-a]pyridin-2-amine;N-(6-bromo-5-methylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide;2-[3-bromo-2-methyl-6-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide;5-bromo-6-methylpyridin-2-amine;N-(5-bromo-6-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 158851662
3-(6-Chloroimidazo[1,2-b]pyridazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-b]pyridazin-2-amine
CID 160462503

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine?
The IUPAC name of 3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine (CID 160982704) is 3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine.
What is the SMILES notation for 3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine?
The canonical SMILES for 3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine is CB(O)O.Cc1ccc(S(=O)(=O)N=c2cnc(Br)cn2CC(N)=O)cc1.Nc1cn2cc(-c3ccncc3)ncc2n1.O=C(Cc1cn2cc(Br)ncc2n1)C(F)(F)F.
What is the InChIKey of 3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine?
The InChIKey is SZSJQLYLEYZBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O3S.C11H9N5.C9H5BrF3N3O.CH5BO2/c1-9-2-4-10(5-3-9)22(20,21)17-13-6-16-11(14)7-18(13)8-12(15)19;12-10-7-16-6-9(14-5-11(16)15-10)8-1-3-13-4-2-8;10-7-4-16-3-5(15-8(16)2-14-7)1-6(17)9(11,12)13;1-2(3)4/h2-7H,8H2,1H3,(H2,15,19);1-7H,12H2;2-4H,1H2;3-4H,1H3.
What are the key properties of 3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine?
3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine has a molecular weight of 964.39 g/mol, XLogP of 3.36, 7 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromoimidazo[1,2-a]pyrazin-2-yl)-1,1,1-trifluoropropan-2-one;2-[5-bromo-2-(4-methylphenyl)sulfonyliminopyrazin-1-yl]acetamide;methylboronic acid;6-pyridin-4-ylimidazo[1,2-a]pyrazin-2-amine is sourced from PubChem (CID 160982704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).