3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

C77H82BCl2F3N18O8 — CID 160943081

IUPAC3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCN(C)c1cccc(CCC(=O)c2nc(-c3ccc(=O)n(C)c3)c(-c3ccc(F)cc3)nc2N)n1.CN(C)c1cccc(CCC(=O)c2nc(Cl)c(-c3ccc(F)cc3)nc2N)n1.CN(C)c1cccc(CN)n1.Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)O
InChIInChI=1S/C26H25FN6O2.C20H19ClFN5O.C12H18BNO3.C11H7ClFN3O2.C8H13N3/c1-32(2)21-6-4-5-19(29-21)12-13-20(34)25-26(28)31-23(16-7-10-18(27)11-8-16)24(30-25)17-9-14-22(35)33(3)15-17;1-27(2)16-5-3-4-14(24-16)10-11-15(28)18-20(23)26-17(19(21)25-18)12-6-8-13(22)9-7-12;1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9;12-9-7(5-1-3-6(13)4-2-5)16-10(14)8(15-9)11(17)18;1-11(2)8-5-3-4-7(6-9)10-8/h4-11,14-15H,12-13H2,1-3H3,(H2,28,31);3-9H,10-11H2,1-2H3,(H2,23,26);6-8H,1-5H3;1-4H,(H2,14,16)(H,17,18);3-5H,6,9H2,1-2H3
InChIKeySUTMBPSVEGBTKA-UHFFFAOYSA-N
MW1526.33 g/mol
LogP10.81
Rot. Bonds18

About 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one

3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (PubChem CID 160943081) has the molecular formula C77H82BCl2F3N18O8 and a molecular weight of 1526.33 g/mol. Its IUPAC name is 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
PubChem CID160943081
Molecular FormulaC77H82BCl2F3N18O8
Molecular Weight1526.33 g/mol
Exact Mass1524.60
IUPAC Name3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
SMILESCN(C)c1cccc(CCC(=O)c2nc(-c3ccc(=O)n(C)c3)c(-c3ccc(F)cc3)nc2N)n1.CN(C)c1cccc(CCC(=O)c2nc(Cl)c(-c3ccc(F)cc3)nc2N)n1.CN(C)c1cccc(CN)n1.Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)O
InChIInChI=1S/C26H25FN6O2.C20H19ClFN5O.C12H18BNO3.C11H7ClFN3O2.C8H13N3/c1-32(2)21-6-4-5-19(29-21)12-13-20(34)25-26(28)31-23(16-7-10-18(27)11-8-16)24(30-25)17-9-14-22(35)33(3)15-17;1-27(2)16-5-3-4-14(24-16)10-11-15(28)18-20(23)26-17(19(21)25-18)12-6-8-13(22)9-7-12;1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9;12-9-7(5-1-3-6(13)4-2-5)16-10(14)8(15-9)11(17)18;1-11(2)8-5-3-4-7(6-9)10-8/h4-11,14-15H,12-13H2,1-3H3,(H2,28,31);3-9H,10-11H2,1-2H3,(H2,23,26);6-8H,1-5H3;1-4H,(H2,14,16)(H,17,18);3-5H,6,9H2,1-2H3
InChIKeySUTMBPSVEGBTKA-UHFFFAOYSA-N
XLogP10.81
TPSA363.71 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001526.33
LogP ≤ 510.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one with MolForge

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Related Compounds

3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine;methane
CID 159666699
3-Amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;(2,6-dimethyl-4-pyridinyl)boronic acid;(3-fluoro-2-pyridinyl)methanamine;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate
CID 159806024
3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate
CID 159921697
3-amino-6-chloro-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 161668214
3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;(2,6-dimethyl-4-pyridinyl)boronic acid;methyl 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylate
CID 161695027
3-amino-6-chloro-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;3-amino-6-(1-cyclopropyl-6-oxo-3-pyridinyl)-N-[(2,6-difluorophenyl)methyl]-5-(4-fluorophenyl)pyrazine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one;(2,6-difluorophenyl)methanamine
CID 161707523

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The IUPAC name of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one (CID 160943081) is 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The canonical SMILES for 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is CN(C)c1cccc(CCC(=O)c2nc(-c3ccc(=O)n(C)c3)c(-c3ccc(F)cc3)nc2N)n1.CN(C)c1cccc(CCC(=O)c2nc(Cl)c(-c3ccc(F)cc3)nc2N)n1.CN(C)c1cccc(CN)n1.Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O.Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)O.
What is the InChIKey of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
The InChIKey is SUTMBPSVEGBTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O2.C20H19ClFN5O.C12H18BNO3.C11H7ClFN3O2.C8H13N3/c1-32(2)21-6-4-5-19(29-21)12-13-20(34)25-26(28)31-23(16-7-10-18(27)11-8-16)24(30-25)17-9-14-22(35)33(3)15-17;1-27(2)16-5-3-4-14(24-16)10-11-15(28)18-20(23)26-17(19(21)25-18)12-6-8-13(22)9-7-12;1-11(2)12(3,4)17-13(16-11)9-6-7-10(15)14(5)8-9;12-9-7(5-1-3-6(13)4-2-5)16-10(14)8(15-9)11(17)18;1-11(2)8-5-3-4-7(6-9)10-8/h4-11,14-15H,12-13H2,1-3H3,(H2,28,31);3-9H,10-11H2,1-2H3,(H2,23,26);6-8H,1-5H3;1-4H,(H2,14,16)(H,17,18);3-5H,6,9H2,1-2H3.
What are the key properties of 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one?
3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one has a molecular weight of 1526.33 g/mol, XLogP of 10.81, 18 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-5-(4-fluorophenyl)pyrazine-2-carboxylic acid;1-[3-amino-6-chloro-5-(4-fluorophenyl)pyrazin-2-yl]-3-[6-(dimethylamino)-2-pyridinyl]propan-1-one;5-[5-amino-6-[3-[6-(dimethylamino)-2-pyridinyl]propanoyl]-3-(4-fluorophenyl)pyrazin-2-yl]-1-methylpyridin-2-one;6-(aminomethyl)-N,N-dimethylpyridin-2-amine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one is sourced from PubChem (CID 160943081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).