3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine

C56H41BrF12N16O11 — CID 162209131

IUPAC3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCn1cc(-c2nc(C(=O)CCc3ncccc3OC(F)(F)F)c(N)nc2-c2ncco2)ccc1=O.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.FC(F)(F)Oc1cccnc1Br.N#Cc1ncccc1OC(F)(F)F.NCc1ncccc1OC(F)(F)F
InChIInChI=1S/C22H17F3N6O4.C14H11N5O4.C7H7F3N2O.C7H3F3N2O.C6H3BrF3NO/c1-31-11-12(4-7-16(31)33)17-19(21-28-9-10-34-21)30-20(26)18(29-17)14(32)6-5-13-15(3-2-8-27-13)35-22(23,24)25;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;2*8-7(9,10)13-6-2-1-3-12-5(6)4-11;7-5-4(2-1-3-11-5)12-6(8,9)10/h2-4,7-11H,5-6H2,1H3,(H2,26,30);2-6H,1H3,(H2,15,18)(H,21,22);1-3H,4,11H2;1-3H;1-3H
InChIKeyZSPIOHOQNGUYOU-UHFFFAOYSA-N
MW1421.92 g/mol
LogP10.00
Rot. Bonds14

About 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine

3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine (PubChem CID 162209131) has the molecular formula C56H41BrF12N16O11 and a molecular weight of 1421.92 g/mol. Its IUPAC name is 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine
PubChem CID162209131
Molecular FormulaC56H41BrF12N16O11
Molecular Weight1421.92 g/mol
Exact Mass1420.21
IUPAC Name3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine
SMILESCn1cc(-c2nc(C(=O)CCc3ncccc3OC(F)(F)F)c(N)nc2-c2ncco2)ccc1=O.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.FC(F)(F)Oc1cccnc1Br.N#Cc1ncccc1OC(F)(F)F.NCc1ncccc1OC(F)(F)F
InChIInChI=1S/C22H17F3N6O4.C14H11N5O4.C7H7F3N2O.C7H3F3N2O.C6H3BrF3NO/c1-31-11-12(4-7-16(31)33)17-19(21-28-9-10-34-21)30-20(26)18(29-17)14(32)6-5-13-15(3-2-8-27-13)35-22(23,24)25;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;2*8-7(9,10)13-6-2-1-3-12-5(6)4-11;7-5-4(2-1-3-11-5)12-6(8,9)10/h2-4,7-11H,5-6H2,1H3,(H2,26,30);2-6H,1H3,(H2,15,18)(H,21,22);1-3H,4,11H2;1-3H;1-3H
InChIKeyZSPIOHOQNGUYOU-UHFFFAOYSA-N
XLogP10.00
TPSA392.32 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds14
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001421.92
LogP ≤ 510.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The IUPAC name of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine (CID 162209131) is 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The canonical SMILES for 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine is Cn1cc(-c2nc(C(=O)CCc3ncccc3OC(F)(F)F)c(N)nc2-c2ncco2)ccc1=O.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.FC(F)(F)Oc1cccnc1Br.N#Cc1ncccc1OC(F)(F)F.NCc1ncccc1OC(F)(F)F.
What is the InChIKey of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine?
The InChIKey is ZSPIOHOQNGUYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N6O4.C14H11N5O4.C7H7F3N2O.C7H3F3N2O.C6H3BrF3NO/c1-31-11-12(4-7-16(31)33)17-19(21-28-9-10-34-21)30-20(26)18(29-17)14(32)6-5-13-15(3-2-8-27-13)35-22(23,24)25;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;2*8-7(9,10)13-6-2-1-3-12-5(6)4-11;7-5-4(2-1-3-11-5)12-6(8,9)10/h2-4,7-11H,5-6H2,1H3,(H2,26,30);2-6H,1H3,(H2,15,18)(H,21,22);1-3H,4,11H2;1-3H;1-3H.
What are the key properties of 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine?
3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine has a molecular weight of 1421.92 g/mol, XLogP of 10.00, 14 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;5-[5-amino-3-(1,3-oxazol-2-yl)-6-[3-[3-(trifluoromethoxy)-2-pyridinyl]propanoyl]pyrazin-2-yl]-1-methylpyridin-2-one;2-bromo-3-(trifluoromethoxy)pyridine;3-(trifluoromethoxy)pyridine-2-carbonitrile;[3-(trifluoromethoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 162209131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).