5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide

C207H186Cl5F20N33O30 — CID 157097903

IUPAC5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
SMILESC#CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)n(C)c1C)C1CC1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)n(C)c2C)CC(O)C1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2Cl)CC(C)(F)C1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2Cl)COC1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)n(C)c2C)CC(C)(F)C1.C#CC1(NC(=O)C(=O)c2c(Cl)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(F)(F)C1.C=CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2Cl)CCC1.C=CC1(NC(=O)C(=O)c2c(Cl)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(F)(F)C1.CC#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)COC1
InChIInChI=1S/C24H22F5N3O3.C24H24F3N3O4.C24H24N4O4.C23H19ClF2N4O3.C23H21ClF2N4O3.C23H19ClF2N4O3.C23H21F4N3O3.C22H20ClFN4O3.C21H16ClFN4O4/c1-6-23(10-22(4,26)11-23)31-21(35)19(33)17-12(2)18(32(5)13(17)3)20(34)30-14-7-8-16(25)15(9-14)24(27,28)29;1-6-23(10-16(31)11-23)29-22(34)20(32)18-13(3)19(30(5)14(18)4)21(33)28-15-8-7-12(2)17(9-15)24(25,26)27;1-6-9-24(12-32-13-24)27-23(31)21(29)19-15(3)20(28(5)16(19)4)22(30)26-18-8-7-14(2)17(10-18)11-25;1-5-23(10-22(3,26)11-23)29-21(33)18(31)16-12(2)17(30(4)19(16)24)20(32)28-14-6-7-15(25)13(8-14)9-27;2*1-5-22(10-23(25,26)11-22)29-21(33)19(31)16-13(3)30(4)18(17(16)24)20(32)28-15-7-6-12(2)14(8-15)9-27;1-5-17(13-6-7-13)29-22(33)20(31)18-11(2)19(30(4)12(18)3)21(32)28-14-8-9-16(24)15(10-14)23(25,26)27;1-4-22(8-5-9-22)27-21(31)18(29)16-12(2)17(28(3)19(16)23)20(30)26-14-6-7-15(24)13(10-14)11-25;1-4-21(9-31-10-21)26-20(30)17(28)15-11(2)16(27(3)18(15)22)19(29)25-13-5-6-14(23)12(7-13)8-24/h1,7-9H,10-11H2,2-5H3,(H,30,34)(H,31,35);1,7-9,16,31H,10-11H2,2-5H3,(H,28,33)(H,29,34);7-8,10H,12-13H2,1-5H3,(H,26,30)(H,27,31);1,6-8H,10-11H2,2-4H3,(H,28,32)(H,29,33);5-8H,1,10-11H2,2-4H3,(H,28,32)(H,29,33);1,6-8H,10-11H2,2-4H3,(H,28,32)(H,29,33);1,8-10,13,17H,6-7H2,2-4H3,(H,28,32)(H,29,33);4,6-7,10H,1,5,8-9H2,2-3H3,(H,26,30)(H,27,31);1,5-7H,9-10H2,2-3H3,(H,25,29)(H,26,30)
InChIKeyAFKPASKFPCZITM-UHFFFAOYSA-N
MW4173.19 g/mol
LogP29.86
Rot. Bonds48

About 5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide

5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide (PubChem CID 157097903) has the molecular formula C207H186Cl5F20N33O30 and a molecular weight of 4173.19 g/mol. Its IUPAC name is 5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
PubChem CID157097903
Molecular FormulaC207H186Cl5F20N33O30
Molecular Weight4173.19 g/mol
Exact Mass4168.22
IUPAC Name5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
SMILESC#CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)n(C)c1C)C1CC1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)n(C)c2C)CC(O)C1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2Cl)CC(C)(F)C1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2Cl)COC1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)n(C)c2C)CC(C)(F)C1.C#CC1(NC(=O)C(=O)c2c(Cl)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(F)(F)C1.C=CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2Cl)CCC1.C=CC1(NC(=O)C(=O)c2c(Cl)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(F)(F)C1.CC#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)COC1
InChIInChI=1S/C24H22F5N3O3.C24H24F3N3O4.C24H24N4O4.C23H19ClF2N4O3.C23H21ClF2N4O3.C23H19ClF2N4O3.C23H21F4N3O3.C22H20ClFN4O3.C21H16ClFN4O4/c1-6-23(10-22(4,26)11-23)31-21(35)19(33)17-12(2)18(32(5)13(17)3)20(34)30-14-7-8-16(25)15(9-14)24(27,28)29;1-6-23(10-16(31)11-23)29-22(34)20(32)18-13(3)19(30(5)14(18)4)21(33)28-15-8-7-12(2)17(9-15)24(25,26)27;1-6-9-24(12-32-13-24)27-23(31)21(29)19-15(3)20(28(5)16(19)4)22(30)26-18-8-7-14(2)17(10-18)11-25;1-5-23(10-22(3,26)11-23)29-21(33)18(31)16-12(2)17(30(4)19(16)24)20(32)28-14-6-7-15(25)13(8-14)9-27;2*1-5-22(10-23(25,26)11-22)29-21(33)19(31)16-13(3)30(4)18(17(16)24)20(32)28-15-7-6-12(2)14(8-15)9-27;1-5-17(13-6-7-13)29-22(33)20(31)18-11(2)19(30(4)12(18)3)21(32)28-14-8-9-16(24)15(10-14)23(25,26)27;1-4-22(8-5-9-22)27-21(31)18(29)16-12(2)17(28(3)19(16)23)20(30)26-14-6-7-15(24)13(10-14)11-25;1-4-21(9-31-10-21)26-20(30)17(28)15-11(2)16(27(3)18(15)22)19(29)25-13-5-6-14(23)12(7-13)8-24/h1,7-9H,10-11H2,2-5H3,(H,30,34)(H,31,35);1,7-9,16,31H,10-11H2,2-5H3,(H,28,33)(H,29,34);7-8,10H,12-13H2,1-5H3,(H,26,30)(H,27,31);1,6-8H,10-11H2,2-4H3,(H,28,32)(H,29,33);5-8H,1,10-11H2,2-4H3,(H,28,32)(H,29,33);1,6-8H,10-11H2,2-4H3,(H,28,32)(H,29,33);1,8-10,13,17H,6-7H2,2-4H3,(H,28,32)(H,29,33);4,6-7,10H,1,5,8-9H2,2-3H3,(H,26,30)(H,27,31);1,5-7H,9-10H2,2-3H3,(H,25,29)(H,26,30)
InChIKeyAFKPASKFPCZITM-UHFFFAOYSA-N
XLogP29.86
TPSA903.23 Ų
H-Bond Donors19
H-Bond Acceptors45
Rotatable Bonds48
Heavy Atoms295
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004173.19
LogP ≤ 529.86
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1045

Analyze 5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide (CID 157097903) is 5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide is C#CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)n(C)c1C)C1CC1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)n(C)c2C)CC(O)C1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2Cl)CC(C)(F)C1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2Cl)COC1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)n(C)c2C)CC(C)(F)C1.C#CC1(NC(=O)C(=O)c2c(Cl)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(F)(F)C1.C=CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2Cl)CCC1.C=CC1(NC(=O)C(=O)c2c(Cl)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(F)(F)C1.CC#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)COC1.
What is the InChIKey of 5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is AFKPASKFPCZITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F5N3O3.C24H24F3N3O4.C24H24N4O4.C23H19ClF2N4O3.C23H21ClF2N4O3.C23H19ClF2N4O3.C23H21F4N3O3.C22H20ClFN4O3.C21H16ClFN4O4/c1-6-23(10-22(4,26)11-23)31-21(35)19(33)17-12(2)18(32(5)13(17)3)20(34)30-14-7-8-16(25)15(9-14)24(27,28)29;1-6-23(10-16(31)11-23)29-22(34)20(32)18-13(3)19(30(5)14(18)4)21(33)28-15-8-7-12(2)17(9-15)24(25,26)27;1-6-9-24(12-32-13-24)27-23(31)21(29)19-15(3)20(28(5)16(19)4)22(30)26-18-8-7-14(2)17(10-18)11-25;1-5-23(10-22(3,26)11-23)29-21(33)18(31)16-12(2)17(30(4)19(16)24)20(32)28-14-6-7-15(25)13(8-14)9-27;2*1-5-22(10-23(25,26)11-22)29-21(33)19(31)16-13(3)30(4)18(17(16)24)20(32)28-15-7-6-12(2)14(8-15)9-27;1-5-17(13-6-7-13)29-22(33)20(31)18-11(2)19(30(4)12(18)3)21(32)28-14-8-9-16(24)15(10-14)23(25,26)27;1-4-22(8-5-9-22)27-21(31)18(29)16-12(2)17(28(3)19(16)23)20(30)26-14-6-7-15(24)13(10-14)11-25;1-4-21(9-31-10-21)26-20(30)17(28)15-11(2)16(27(3)18(15)22)19(29)25-13-5-6-14(23)12(7-13)8-24/h1,7-9H,10-11H2,2-5H3,(H,30,34)(H,31,35);1,7-9,16,31H,10-11H2,2-5H3,(H,28,33)(H,29,34);7-8,10H,12-13H2,1-5H3,(H,26,30)(H,27,31);1,6-8H,10-11H2,2-4H3,(H,28,32)(H,29,33);5-8H,1,10-11H2,2-4H3,(H,28,32)(H,29,33);1,6-8H,10-11H2,2-4H3,(H,28,32)(H,29,33);1,8-10,13,17H,6-7H2,2-4H3,(H,28,32)(H,29,33);4,6-7,10H,1,5,8-9H2,2-3H3,(H,26,30)(H,27,31);1,5-7H,9-10H2,2-3H3,(H,25,29)(H,26,30).
What are the key properties of 5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide?
5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide has a molecular weight of 4173.19 g/mol, XLogP of 29.86, 48 rotatable bonds, 19 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide;4-[2-(1-cyclopropylprop-2-ynylamino)-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-fluoro-3-methylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 157097903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).