N-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone

C116H107F2N25O15S4 — CID 158440573

IUPACN-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1ccc(NC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1F.CC(=O)c1ccc(NC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cn1.Cc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(C)(=O)=O)c(F)c3)n2)cc1.Cc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(C)(=O)=O)nc3)n2)cc1.Cc1ccc(-c2cnc(N)c(C(=O)Cc3cnc(S(C)(=O)=O)nc3)n2)cc1.[H]N=S(C)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1
InChIInChI=1S/C20H17FN4O2.C20H18FN3O3S.C20H20N4O2S.C19H17N5O2.C19H18N4O3S.C18H17N5O3S/c1-11-3-5-13(6-4-11)17-10-23-19(22)18(25-17)20(27)24-14-7-8-15(12(2)26)16(21)9-14;1-12-3-6-14(7-4-12)16-11-23-20(22)19(24-16)17(25)10-13-5-8-18(15(21)9-13)28(2,26)27;1-13-3-7-15(8-4-13)17-12-23-20(21)19(24-17)18(25)11-14-5-9-16(10-6-14)27(2,22)26;1-11-3-5-13(6-4-11)16-10-22-18(20)17(24-16)19(26)23-14-7-8-15(12(2)25)21-9-14;1-12-3-6-14(7-4-12)15-11-22-19(20)18(23-15)16(24)9-13-5-8-17(21-10-13)27(2,25)26;1-11-3-5-13(6-4-11)14-10-20-17(19)16(23-14)15(24)7-12-8-21-18(22-9-12)27(2,25)26/h3-10H,1-2H3,(H2,22,23)(H,24,27);3-9,11H,10H2,1-2H3,(H2,22,23);3-10,12,22H,11H2,1-2H3,(H2,21,23);3-10H,1-2H3,(H2,20,22)(H,23,26);3-8,10-11H,9H2,1-2H3,(H2,20,22);3-6,8-10H,7H2,1-2H3,(H2,19,20)
InChIKeyHCTLHAHUYPLOOE-UHFFFAOYSA-N
MW2257.56 g/mol
LogP16.92
Rot. Bonds28

About N-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone

N-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone (PubChem CID 158440573) has the molecular formula C116H107F2N25O15S4 and a molecular weight of 2257.56 g/mol. Its IUPAC name is N-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound NameN-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone
PubChem CID158440573
Molecular FormulaC116H107F2N25O15S4
Molecular Weight2257.56 g/mol
Exact Mass2255.72
IUPAC NameN-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1ccc(NC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1F.CC(=O)c1ccc(NC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cn1.Cc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(C)(=O)=O)c(F)c3)n2)cc1.Cc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(C)(=O)=O)nc3)n2)cc1.Cc1ccc(-c2cnc(N)c(C(=O)Cc3cnc(S(C)(=O)=O)nc3)n2)cc1.[H]N=S(C)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1
InChIInChI=1S/C20H17FN4O2.C20H18FN3O3S.C20H20N4O2S.C19H17N5O2.C19H18N4O3S.C18H17N5O3S/c1-11-3-5-13(6-4-11)17-10-23-19(22)18(25-17)20(27)24-14-7-8-15(12(2)26)16(21)9-14;1-12-3-6-14(7-4-12)16-11-23-20(22)19(24-16)17(25)10-13-5-8-18(15(21)9-13)28(2,26)27;1-13-3-7-15(8-4-13)17-12-23-20(21)19(24-17)18(25)11-14-5-9-16(10-6-14)27(2,22)26;1-11-3-5-13(6-4-11)16-10-22-18(20)17(24-16)19(26)23-14-7-8-15(12(2)25)21-9-14;1-12-3-6-14(7-4-12)15-11-22-19(20)18(23-15)16(24)9-13-5-8-17(21-10-13)27(2,25)26;1-11-3-5-13(6-4-11)14-10-20-17(19)16(23-14)15(24)7-12-8-21-18(22-9-12)27(2,25)26/h3-10H,1-2H3,(H2,22,23)(H,24,27);3-9,11H,10H2,1-2H3,(H2,22,23);3-10,12,22H,11H2,1-2H3,(H2,21,23);3-10H,1-2H3,(H2,20,22)(H,23,26);3-8,10-11H,9H2,1-2H3,(H2,20,22);3-6,8-10H,7H2,1-2H3,(H2,19,20)
InChIKeyHCTLHAHUYPLOOE-UHFFFAOYSA-N
XLogP16.92
TPSA666.32 Ų
H-Bond Donors9
H-Bond Acceptors38
Rotatable Bonds28
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002257.56
LogP ≤ 516.92
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1038

Analyze N-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone with MolForge

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Related Compounds

2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-[4-(trifluoromethylsulfonylmethyl)phenyl]ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide
CID 157272245
2-[4-[[[6-[cyclopropyl-[[4-(1,1-difluoroethyl)phenyl]methyl]amino]pyrimidin-4-yl]amino]methyl]phenyl]acetamide;N-[4-[[[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1,1-difluoromethanesulfonamide;4-N-cyclopropyl-5-fluoro-6-N-[(6-methylsulfonyl-3-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-fluoro-2-pyridinyl]methanesulfonamide;N-[4-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]phenyl]-1-fluoroethanesulfonamide
CID 158517286
2-[5-[2-[6-[cyclopropyl-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]ethyl]-2-pyridinyl]acetamide;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(5-methylsulfonyl-2-pyridinyl)ethyl]pyrimidin-4-amine;N-cyclopropyl-N-[[6-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-fluoro-6-[2-(6-methylsulfonyl-3-pyridinyl)ethyl]pyrimidin-4-amine;4-N-cyclopropyl-5-fluoro-6-N-[(5-methylsulfonyl-2-pyridinyl)methyl]-4-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrimidine-4,6-diamine;N-[5-[[[6-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]pyrimidin-2-yl]methanesulfonamide;1-[5-[[[6-[cyclopropyl-[[5-(trifluoromethyl)-2-pyridinyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-2-pyridinyl]propan-2-one
CID 158544628
N-(4-butylphenyl)-4-(tert-butylsulfinylamino)benzamide;N-(4-butylphenyl)-4-(tert-butylsulfonylamino)benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 159334248
9-(6-Isocyano-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-methylsulfonyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 159349375
N-(4-butylphenyl)-4-(2-chloropropan-2-ylsulfinylamino)benzamide;N-(4-butylphenyl)-4-[2-chloropropan-2-ylsulfinyl(methyl)amino]benzamide;N-(4-butylphenyl)-5-chloro-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-4-methyl-2-(propan-2-ylsulfonylamino)pyrimidine-5-carboxamide;N-(4-butylphenyl)-3-(propan-2-ylsulfonylamino)benzamide;N-(4-butylphenyl)-4-[(propan-2-ylsulfonylamino)methyl]benzamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-propylpyrimidine-5-carboxamide;N-(4-butylphenyl)-5-(propan-2-ylsulfonylamino)pyridine-2-carboxamide;N-(4-butylphenyl)-6-(propan-2-ylsulfonylamino)pyridine-3-carboxamide;N-(4-butylphenyl)-2-(propan-2-ylsulfonylamino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 159414452
N,N-dimethyl-4-[[4-[2-[3-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N,N-dimethyl-3-[[4-[2-[3-(methyl-methylidene-oxo-lambda6-sulfanyl)phenyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[4-[2-[2-[methyl-(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]ethyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide;4-[2-[2-[methyl-(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]ethyl]-N-(2-methylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 160639785
9-(6-Isocyano-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-methylsulfonyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 160827759
N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(8-oxodecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide
CID 163891494
N-decyl-4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(10-oxododecyl)benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-(4-oxohexoxy)ethoxy]ethyl]benzamide;4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-[2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide;4-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[5-(propanoylamino)pentyl]benzamide
CID 164013464
4-(aminomethyl)benzenesulfonamide;barium(2+);bis(5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one);(2Z)-1-(4-fluorophenyl)-2-hydroxyiminoethanone;6-(4-fluorophenyl)-2-methylsulfanyl-3H-pteridin-4-one;6-(4-fluorophenyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)pteridin-4-amine;6-(4-fluorophenyl)-2-sulfanylidene-1H-pteridin-4-one;4-[[[6-(4-fluorophenyl)-4-(2,2,2-trifluoroethylamino)pteridin-2-yl]amino]methyl]benzenesulfonamide;iodomethane;methane;2,2,2-trifluoroethanamine;dichloride;hydrochloride
CID 172935635
3-amino-N-[4-[2-[4-[5-amino-6-[(2-methylsulfonylpyrimidin-5-yl)carbamoyl]pyrazin-2-yl]phenyl]ethylsulfonimidoyl]phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide
CID 156816613

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone?
The IUPAC name of N-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone (CID 158440573) is N-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone.
What is the SMILES notation for N-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone?
The canonical SMILES for N-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone is CC(=O)c1ccc(NC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1F.CC(=O)c1ccc(NC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cn1.Cc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(C)(=O)=O)c(F)c3)n2)cc1.Cc1ccc(-c2cnc(N)c(C(=O)Cc3ccc(S(C)(=O)=O)nc3)n2)cc1.Cc1ccc(-c2cnc(N)c(C(=O)Cc3cnc(S(C)(=O)=O)nc3)n2)cc1.[H]N=S(C)(=O)c1ccc(CC(=O)c2nc(-c3ccc(C)cc3)cnc2N)cc1.
What is the InChIKey of N-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone?
The InChIKey is HCTLHAHUYPLOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2.C20H18FN3O3S.C20H20N4O2S.C19H17N5O2.C19H18N4O3S.C18H17N5O3S/c1-11-3-5-13(6-4-11)17-10-23-19(22)18(25-17)20(27)24-14-7-8-15(12(2)26)16(21)9-14;1-12-3-6-14(7-4-12)16-11-23-20(22)19(24-16)17(25)10-13-5-8-18(15(21)9-13)28(2,26)27;1-13-3-7-15(8-4-13)17-12-23-20(21)19(24-17)18(25)11-14-5-9-16(10-6-14)27(2,22)26;1-11-3-5-13(6-4-11)16-10-22-18(20)17(24-16)19(26)23-14-7-8-15(12(2)25)21-9-14;1-12-3-6-14(7-4-12)15-11-22-19(20)18(23-15)16(24)9-13-5-8-17(21-10-13)27(2,25)26;1-11-3-5-13(6-4-11)14-10-20-17(19)16(23-14)15(24)7-12-8-21-18(22-9-12)27(2,25)26/h3-10H,1-2H3,(H2,22,23)(H,24,27);3-9,11H,10H2,1-2H3,(H2,22,23);3-10,12,22H,11H2,1-2H3,(H2,21,23);3-10H,1-2H3,(H2,20,22)(H,23,26);3-8,10-11H,9H2,1-2H3,(H2,20,22);3-6,8-10H,7H2,1-2H3,(H2,19,20).
What are the key properties of N-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone?
N-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone has a molecular weight of 2257.56 g/mol, XLogP of 16.92, 28 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-fluorophenyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;N-(6-acetyl-3-pyridinyl)-3-amino-6-(4-methylphenyl)pyrazine-2-carboxamide;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(3-fluoro-4-methylsulfonylphenyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-[4-(methylsulfonimidoyl)phenyl]ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(6-methylsulfonyl-3-pyridinyl)ethanone;1-[3-amino-6-(4-methylphenyl)pyrazin-2-yl]-2-(2-methylsulfonylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 158440573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).