N-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide

C178H128F12N46O8S4 — CID 158422705

IUPACN-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide
SMILES[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4cc(C)[nH]n4)c(F)c3)n2)cc1C.[C-]#[N+]c1ccc(-c2ccn(-c3cnc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1C.[C-]#[N+]c1ccc(-c2ccn(-c3cnc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1F.[C-]#[N+]c1ncc(-c2ccn(-c3ccc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1F.[C-]#[N+]c1ncc(-c2ccn(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1C.[C-]#[N+]c1ncc(-c2ccn(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1F.[C-]#[N+]c1ncc(-c2ccn(-c3cnc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1C.[C-]#[N+]c1ncc(-c2ccn(-c3cnc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1F
InChIInChI=1S/C23H19FN6O.2C23H18FN5OS.C22H14F2N6O.2C22H15F2N5OS.C22H16FN7O.C21H13F2N7O/c1-14-10-16(5-7-20(14)25-3)21-8-9-30(29-21)18-6-4-17(19(24)12-18)13-26-23(31)22-11-15(2)27-28-22;1-14-7-9-31-21(14)23(30)27-12-16-4-5-18(11-19(16)24)29-8-6-20(28-29)17-10-15(2)22(25-3)26-13-17;1-14-7-9-31-22(14)23(30)27-13-21-18(24)11-17(12-26-21)29-8-6-20(28-29)16-4-5-19(25-3)15(2)10-16;1-25-21-18(24)10-15(13-27-21)19-7-9-30(29-19)16-6-5-14(17(23)11-16)12-28-22(31)20-4-2-3-8-26-20;1-13-6-8-31-20(13)22(30)27-11-14-3-4-16(10-17(14)23)29-7-5-19(28-29)15-9-18(24)21(25-2)26-12-15;1-13-6-8-31-21(13)22(30)27-12-20-17(24)10-15(11-26-20)29-7-5-18(28-29)14-3-4-19(25-2)16(23)9-14;1-14-9-15(11-27-21(14)24-2)18-6-8-30(29-18)16-10-17(23)20(26-12-16)13-28-22(31)19-5-3-4-7-25-19;1-24-20-16(23)8-13(10-27-20)17-5-7-30(29-17)14-9-15(22)19(26-11-14)12-28-21(31)18-4-2-3-6-25-18/h4-12H,13H2,1-2H3,(H,26,31)(H,27,28);4-11,13H,12H2,1-2H3,(H,27,30);4-12H,13H2,1-2H3,(H,27,30);2-11,13H,12H2,(H,28,31);3-10,12H,11H2,1H3,(H,27,30);3-11H,12H2,1H3,(H,27,30);3-12H,13H2,1H3,(H,28,31);2-11H,12H2,(H,28,31)
InChIKeyHARHRMZYBOKGPM-UHFFFAOYSA-N
MW3395.54 g/mol
LogP36.31
Rot. Bonds40

About N-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide

N-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 158422705) has the molecular formula C178H128F12N46O8S4 and a molecular weight of 3395.54 g/mol. Its IUPAC name is N-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID158422705
Molecular FormulaC178H128F12N46O8S4
Molecular Weight3395.54 g/mol
Exact Mass3392.97
IUPAC NameN-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide
SMILES[C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4cc(C)[nH]n4)c(F)c3)n2)cc1C.[C-]#[N+]c1ccc(-c2ccn(-c3cnc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1C.[C-]#[N+]c1ccc(-c2ccn(-c3cnc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1F.[C-]#[N+]c1ncc(-c2ccn(-c3ccc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1F.[C-]#[N+]c1ncc(-c2ccn(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1C.[C-]#[N+]c1ncc(-c2ccn(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1F.[C-]#[N+]c1ncc(-c2ccn(-c3cnc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1C.[C-]#[N+]c1ncc(-c2ccn(-c3cnc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1F
InChIInChI=1S/C23H19FN6O.2C23H18FN5OS.C22H14F2N6O.2C22H15F2N5OS.C22H16FN7O.C21H13F2N7O/c1-14-10-16(5-7-20(14)25-3)21-8-9-30(29-21)18-6-4-17(19(24)12-18)13-26-23(31)22-11-15(2)27-28-22;1-14-7-9-31-21(14)23(30)27-12-16-4-5-18(11-19(16)24)29-8-6-20(28-29)17-10-15(2)22(25-3)26-13-17;1-14-7-9-31-22(14)23(30)27-13-21-18(24)11-17(12-26-21)29-8-6-20(28-29)16-4-5-19(25-3)15(2)10-16;1-25-21-18(24)10-15(13-27-21)19-7-9-30(29-19)16-6-5-14(17(23)11-16)12-28-22(31)20-4-2-3-8-26-20;1-13-6-8-31-20(13)22(30)27-11-14-3-4-16(10-17(14)23)29-7-5-19(28-29)15-9-18(24)21(25-2)26-12-15;1-13-6-8-31-21(13)22(30)27-12-20-17(24)10-15(11-26-20)29-7-5-18(28-29)14-3-4-19(25-2)16(23)9-14;1-14-9-15(11-27-21(14)24-2)18-6-8-30(29-18)16-10-17(23)20(26-12-16)13-28-22(31)19-5-3-4-7-25-19;1-24-20-16(23)8-13(10-27-20)17-5-7-30(29-17)14-9-15(22)19(26-11-14)12-28-21(31)18-4-2-3-6-25-18/h4-12H,13H2,1-2H3,(H,26,31)(H,27,28);4-11,13H,12H2,1-2H3,(H,27,30);4-12H,13H2,1-2H3,(H,27,30);2-11,13H,12H2,(H,28,31);3-10,12H,11H2,1H3,(H,27,30);3-11H,12H2,1H3,(H,27,30);3-12H,13H2,1H3,(H,28,31);2-11H,12H2,(H,28,31)
InChIKeyHARHRMZYBOKGPM-UHFFFAOYSA-N
XLogP36.31
TPSA593.60 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds40
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003395.54
LogP ≤ 536.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze N-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137059186
N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145034719
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 157348909
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(dimethylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(dimethylamino)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157583115
N-(2-aminoethyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide;6-[1-benzyl-3-(trifluoromethyl)pyrazol-5-yl]-N,N-dimethylpyridine-2-carboxamide;N,N-dimethyl-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide;N',N'-dimethyl-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carbohydrazide;N,N-dimethyl-4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2-carboxamide;5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-piperidin-1-ylthiophene-2-carboxamide
CID 158189634
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 158374397
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(methyl-methylidene-oxo-lambda6-sulfanyl)amino]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 158652397
N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-(6-fluoro-3-pyridinyl)indazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-3-ylindazole-4-carboxamide;N-[[3-(1,1-difluoroethyl)phenyl]methyl]-1-pyridin-4-ylindazole-4-carboxamide;1-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 158867825
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridine;1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 159108682
1-(6-fluoro-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide;1-thiophen-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 159250151
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridine;1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 159444735
9-(6-amino-3-pyridinyl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;9-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one;N-[2-methyl-5-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide;4-[1-[4-methyl-3-(prop-2-enoylamino)phenyl]-2-oxobenzo[h][1,6]naphthyridin-9-yl]thiophene-2-carboxamide;1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 159544382

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide (CID 158422705) is N-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide is [C-]#[N+]c1ccc(-c2ccn(-c3ccc(CNC(=O)c4cc(C)[nH]n4)c(F)c3)n2)cc1C.[C-]#[N+]c1ccc(-c2ccn(-c3cnc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1C.[C-]#[N+]c1ccc(-c2ccn(-c3cnc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1F.[C-]#[N+]c1ncc(-c2ccn(-c3ccc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1F.[C-]#[N+]c1ncc(-c2ccn(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1C.[C-]#[N+]c1ncc(-c2ccn(-c3ccc(CNC(=O)c4sccc4C)c(F)c3)n2)cc1F.[C-]#[N+]c1ncc(-c2ccn(-c3cnc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1C.[C-]#[N+]c1ncc(-c2ccn(-c3cnc(CNC(=O)c4ccccn4)c(F)c3)n2)cc1F.
What is the InChIKey of N-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is HARHRMZYBOKGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O.2C23H18FN5OS.C22H14F2N6O.2C22H15F2N5OS.C22H16FN7O.C21H13F2N7O/c1-14-10-16(5-7-20(14)25-3)21-8-9-30(29-21)18-6-4-17(19(24)12-18)13-26-23(31)22-11-15(2)27-28-22;1-14-7-9-31-21(14)23(30)27-12-16-4-5-18(11-19(16)24)29-8-6-20(28-29)17-10-15(2)22(25-3)26-13-17;1-14-7-9-31-22(14)23(30)27-13-21-18(24)11-17(12-26-21)29-8-6-20(28-29)16-4-5-19(25-3)15(2)10-16;1-25-21-18(24)10-15(13-27-21)19-7-9-30(29-19)16-6-5-14(17(23)11-16)12-28-22(31)20-4-2-3-8-26-20;1-13-6-8-31-20(13)22(30)27-11-14-3-4-16(10-17(14)23)29-7-5-19(28-29)15-9-18(24)21(25-2)26-12-15;1-13-6-8-31-21(13)22(30)27-12-20-17(24)10-15(11-26-20)29-7-5-18(28-29)14-3-4-19(25-2)16(23)9-14;1-14-9-15(11-27-21(14)24-2)18-6-8-30(29-18)16-10-17(23)20(26-12-16)13-28-22(31)19-5-3-4-7-25-19;1-24-20-16(23)8-13(10-27-20)17-5-7-30(29-17)14-9-15(22)19(26-11-14)12-28-21(31)18-4-2-3-6-25-18/h4-12H,13H2,1-2H3,(H,26,31)(H,27,28);4-11,13H,12H2,1-2H3,(H,27,30);4-12H,13H2,1-2H3,(H,27,30);2-11,13H,12H2,(H,28,31);3-10,12H,11H2,1H3,(H,27,30);3-11H,12H2,1H3,(H,27,30);3-12H,13H2,1H3,(H,28,31);2-11H,12H2,(H,28,31).
What are the key properties of N-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide?
N-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 3395.54 g/mol, XLogP of 36.31, 40 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-[3-(3-fluoro-4-isocyanophenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]pyridine-2-carboxamide;N-[[3-fluoro-5-[3-(5-fluoro-6-isocyano-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-fluoro-4-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxamide;N-[[3-fluoro-5-[3-(4-isocyano-3-methylphenyl)pyrazol-1-yl]-2-pyridinyl]methyl]-3-methylthiophene-2-carboxamide;N-[[2-fluoro-4-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]phenyl]methyl]-3-methylthiophene-2-carboxamide;N-[[3-fluoro-5-[3-(6-isocyano-5-methyl-3-pyridinyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 158422705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).