N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide

C207H209F10N37O33 — CID 158711722

IUPACN-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
SMILESC#CC(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)n(C)c1C.C#CC(CO)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C.C#CC(COC)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C.C#CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C)C(C)(C)C.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(O)C1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)n(C)c2C)COC1.C=CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1C)C(F)(F)F.C=CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)COC1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)COC3)c(C)n2C)cc1C#N
InChIInChI=1S/C25H28N4O3.C24H24N4O4.C23H22F3N3O4.C23H24F3N3O3.C23H23N7O4.2C23H24N4O4.C22H22N4O4.C21H18F4N4O3/c1-9-19(25(5,6)7)28-24(32)22(30)20-15(3)21(29(8)16(20)4)23(31)27-18-11-10-14(2)17(12-18)13-26;1-6-24(10-18(29)11-24)27-23(32)21(30)19-14(3)20(28(5)15(19)4)22(31)26-17-8-7-13(2)16(9-17)12-25;1-6-22(10-33-11-22)28-21(32)19(30)17-13(3)18(29(5)14(17)4)20(31)27-15-8-7-12(2)16(9-15)23(24,25)26;1-8-22(5,6)28-21(32)19(30)17-13(3)18(29(7)14(17)4)20(31)27-15-10-9-12(2)16(11-15)23(24,25)26;1-12-5-6-16(7-15(12)8-24)26-21(32)19-13(2)18(14(3)30(19)4)20(31)22(33)27-23(10-34-11-23)17-9-25-29-28-17;1-6-23(11-31-12-23)26-22(30)20(28)18-14(3)19(27(5)15(18)4)21(29)25-17-8-7-13(2)16(9-17)10-24;1-7-17(12-31-6)25-23(30)21(28)19-14(3)20(27(5)15(19)4)22(29)26-18-9-8-13(2)16(10-18)11-24;1-6-16(11-27)24-22(30)20(28)18-13(3)19(26(5)14(18)4)21(29)25-17-8-7-12(2)15(9-17)10-23;1-5-15(21(23,24)25)28-20(32)18(30)16-10(2)17(29(4)11(16)3)19(31)27-13-6-7-14(22)12(8-13)9-26/h1,10-12,19H,2-8H3,(H,27,31)(H,28,32);1,7-9,18,29H,10-11H2,2-5H3,(H,26,31)(H,27,32);1,7-9H,10-11H2,2-5H3,(H,27,31)(H,28,32);1,9-11H,2-7H3,(H,27,31)(H,28,32);5-7,9H,10-11H2,1-4H3,(H,26,32)(H,27,33)(H,25,28,29);6-9H,1,11-12H2,2-5H3,(H,25,29)(H,26,30);1,8-10,17H,12H2,2-6H3,(H,25,30)(H,26,29);1,7-9,16,27H,11H2,2-5H3,(H,24,30)(H,25,29);5-8,15H,1H2,2-4H3,(H,27,31)(H,28,32)
InChIKeyIIURICJWKGZTLP-UHFFFAOYSA-N
MW3933.15 g/mol
LogP22.63
Rot. Bonds51

About N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide

N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide (PubChem CID 158711722) has the molecular formula C207H209F10N37O33 and a molecular weight of 3933.15 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
PubChem CID158711722
Molecular FormulaC207H209F10N37O33
Molecular Weight3933.15 g/mol
Exact Mass3930.57
IUPAC NameN-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
SMILESC#CC(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)n(C)c1C.C#CC(CO)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C.C#CC(COC)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C.C#CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C)C(C)(C)C.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(O)C1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)n(C)c2C)COC1.C=CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1C)C(F)(F)F.C=CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)COC1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)COC3)c(C)n2C)cc1C#N
InChIInChI=1S/C25H28N4O3.C24H24N4O4.C23H22F3N3O4.C23H24F3N3O3.C23H23N7O4.2C23H24N4O4.C22H22N4O4.C21H18F4N4O3/c1-9-19(25(5,6)7)28-24(32)22(30)20-15(3)21(29(8)16(20)4)23(31)27-18-11-10-14(2)17(12-18)13-26;1-6-24(10-18(29)11-24)27-23(32)21(30)19-14(3)20(28(5)15(19)4)22(31)26-17-8-7-13(2)16(9-17)12-25;1-6-22(10-33-11-22)28-21(32)19(30)17-13(3)18(29(5)14(17)4)20(31)27-15-8-7-12(2)16(9-15)23(24,25)26;1-8-22(5,6)28-21(32)19(30)17-13(3)18(29(7)14(17)4)20(31)27-15-10-9-12(2)16(11-15)23(24,25)26;1-12-5-6-16(7-15(12)8-24)26-21(32)19-13(2)18(14(3)30(19)4)20(31)22(33)27-23(10-34-11-23)17-9-25-29-28-17;1-6-23(11-31-12-23)26-22(30)20(28)18-14(3)19(27(5)15(18)4)21(29)25-17-8-7-13(2)16(9-17)10-24;1-7-17(12-31-6)25-23(30)21(28)19-14(3)20(27(5)15(19)4)22(29)26-18-9-8-13(2)16(10-18)11-24;1-6-16(11-27)24-22(30)20(28)18-13(3)19(26(5)14(18)4)21(29)25-17-8-7-12(2)15(9-17)10-23;1-5-15(21(23,24)25)28-20(32)18(30)16-10(2)17(29(4)11(16)3)19(31)27-13-6-7-14(22)12(8-13)9-26/h1,10-12,19H,2-8H3,(H,27,31)(H,28,32);1,7-9,18,29H,10-11H2,2-5H3,(H,26,31)(H,27,32);1,7-9H,10-11H2,2-5H3,(H,27,31)(H,28,32);1,9-11H,2-7H3,(H,27,31)(H,28,32);5-7,9H,10-11H2,1-4H3,(H,26,32)(H,27,33)(H,25,28,29);6-9H,1,11-12H2,2-5H3,(H,25,29)(H,26,30);1,8-10,17H,12H2,2-6H3,(H,25,30)(H,26,29);1,7-9,16,27H,11H2,2-5H3,(H,24,30)(H,25,29);5-8,15H,1H2,2-4H3,(H,27,31)(H,28,32)
InChIKeyIIURICJWKGZTLP-UHFFFAOYSA-N
XLogP22.63
TPSA1007.28 Ų
H-Bond Donors21
H-Bond Acceptors51
Rotatable Bonds51
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003933.15
LogP ≤ 522.63
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1051

Analyze N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide (CID 158711722) is N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide is C#CC(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)n(C)c1C.C#CC(CO)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C.C#CC(COC)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C.C#CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C)C(C)(C)C.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(O)C1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)n(C)c2C)COC1.C=CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1C)C(F)(F)F.C=CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)COC1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)COC3)c(C)n2C)cc1C#N.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is IIURICJWKGZTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3.C24H24N4O4.C23H22F3N3O4.C23H24F3N3O3.C23H23N7O4.2C23H24N4O4.C22H22N4O4.C21H18F4N4O3/c1-9-19(25(5,6)7)28-24(32)22(30)20-15(3)21(29(8)16(20)4)23(31)27-18-11-10-14(2)17(12-18)13-26;1-6-24(10-18(29)11-24)27-23(32)21(30)19-14(3)20(28(5)15(19)4)22(31)26-17-8-7-13(2)16(9-17)12-25;1-6-22(10-33-11-22)28-21(32)19(30)17-13(3)18(29(5)14(17)4)20(31)27-15-8-7-12(2)16(9-15)23(24,25)26;1-8-22(5,6)28-21(32)19(30)17-13(3)18(29(7)14(17)4)20(31)27-15-10-9-12(2)16(11-15)23(24,25)26;1-12-5-6-16(7-15(12)8-24)26-21(32)19-13(2)18(14(3)30(19)4)20(31)22(33)27-23(10-34-11-23)17-9-25-29-28-17;1-6-23(11-31-12-23)26-22(30)20(28)18-14(3)19(27(5)15(18)4)21(29)25-17-8-7-13(2)16(9-17)10-24;1-7-17(12-31-6)25-23(30)21(28)19-14(3)20(27(5)15(19)4)22(29)26-18-9-8-13(2)16(10-18)11-24;1-6-16(11-27)24-22(30)20(28)18-13(3)19(26(5)14(18)4)21(29)25-17-8-7-12(2)15(9-17)10-23;1-5-15(21(23,24)25)28-20(32)18(30)16-10(2)17(29(4)11(16)3)19(31)27-13-6-7-14(22)12(8-13)9-26/h1,10-12,19H,2-8H3,(H,27,31)(H,28,32);1,7-9,18,29H,10-11H2,2-5H3,(H,26,31)(H,27,32);1,7-9H,10-11H2,2-5H3,(H,27,31)(H,28,32);1,9-11H,2-7H3,(H,27,31)(H,28,32);5-7,9H,10-11H2,1-4H3,(H,26,32)(H,27,33)(H,25,28,29);6-9H,1,11-12H2,2-5H3,(H,25,29)(H,26,30);1,8-10,17H,12H2,2-6H3,(H,25,30)(H,26,29);1,7-9,16,27H,11H2,2-5H3,(H,24,30)(H,25,29);5-8,15H,1H2,2-4H3,(H,27,31)(H,28,32).
What are the key properties of N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide has a molecular weight of 3933.15 g/mol, XLogP of 22.63, 51 rotatable bonds, 21 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-(1,1,1-trifluorobut-3-en-2-ylamino)acetyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(4,4-dimethylpent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(3-ethenyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-hydroxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-(1-methoxybut-3-yn-2-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide;1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 158711722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).