3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide

C199H173Cl2F19N34O33 — CID 159316833

IUPAC3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide
SMILESC#CC(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)n(C)c1C.C#CC(CCO)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1C.C#CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1C)C1COC1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2Cl)CC(O)C1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)n(C)c2C)COC1.C#CC1(NC(=O)C(=O)c2c(Cl)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)CC(O)C1.C#CC1(NC(=O)C(=O)c2c(F)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)CC(F)(F)C1.C#CC1(NC(=O)C(=O)c2c(F)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)COC1.C=CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)CCC1
InChIInChI=1S/C23H21FN4O4.C23H23FN4O3.2C22H18ClFN4O4.C22H16F4N4O3.C22H19F4N3O4.C22H21F4N3O3.C22H21FN4O4.C21H16F2N4O4/c1-5-18(15-10-32-11-15)27-23(31)21(29)19-12(2)20(28(4)13(19)3)22(30)26-16-6-7-17(24)14(8-16)9-25;1-5-23(9-6-10-23)27-22(31)20(29)18-13(2)19(28(4)14(18)3)21(30)26-16-7-8-17(24)15(11-16)12-25;1-4-22(8-14(29)9-22)27-21(32)19(30)16-11(2)28(3)18(17(16)23)20(31)26-13-5-6-15(24)12(7-13)10-25;1-4-22(8-14(29)9-22)27-21(32)18(30)16-11(2)17(28(3)19(16)23)20(31)26-13-5-6-15(24)12(7-13)10-25;1-4-21(9-22(25,26)10-21)29-20(33)18(31)15-11(2)30(3)17(16(15)24)19(32)28-13-5-6-14(23)12(7-13)8-27;1-5-21(9-33-10-21)28-20(32)18(30)16-11(2)17(29(4)12(16)3)19(31)27-13-6-7-15(23)14(8-13)22(24,25)26;1-7-21(4,5)28-20(32)18(30)16-11(2)17(29(6)12(16)3)19(31)27-13-8-9-15(23)14(10-13)22(24,25)26;1-5-15(8-9-28)25-22(31)20(29)18-12(2)19(27(4)13(18)3)21(30)26-16-6-7-17(23)14(10-16)11-24;1-4-21(9-31-10-21)26-20(30)18(28)15-11(2)27(3)17(16(15)23)19(29)25-13-5-6-14(22)12(7-13)8-24/h1,6-8,15,18H,10-11H2,2-4H3,(H,26,30)(H,27,31);5,7-8,11H,1,6,9-10H2,2-4H3,(H,26,30)(H,27,31);2*1,5-7,14,29H,8-9H2,2-3H3,(H,26,31)(H,27,32);1,5-7H,9-10H2,2-3H3,(H,28,32)(H,29,33);1,6-8H,9-10H2,2-4H3,(H,27,31)(H,28,32);1,8-10H,2-6H3,(H,27,31)(H,28,32);1,6-7,10,15,28H,8-9H2,2-4H3,(H,25,31)(H,26,30);1,5-7H,9-10H2,2-3H3,(H,25,29)(H,26,30)
InChIKeyLDFZFRXPMDNBLZ-UHFFFAOYSA-N
MW4000.65 g/mol
LogP21.69
Rot. Bonds49

About 3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide

3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide (PubChem CID 159316833) has the molecular formula C199H173Cl2F19N34O33 and a molecular weight of 4000.65 g/mol. Its IUPAC name is 3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide
PubChem CID159316833
Molecular FormulaC199H173Cl2F19N34O33
Molecular Weight4000.65 g/mol
Exact Mass3997.20
IUPAC Name3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide
SMILESC#CC(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)n(C)c1C.C#CC(CCO)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1C.C#CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1C)C1COC1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2Cl)CC(O)C1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)n(C)c2C)COC1.C#CC1(NC(=O)C(=O)c2c(Cl)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)CC(O)C1.C#CC1(NC(=O)C(=O)c2c(F)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)CC(F)(F)C1.C#CC1(NC(=O)C(=O)c2c(F)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)COC1.C=CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)CCC1
InChIInChI=1S/C23H21FN4O4.C23H23FN4O3.2C22H18ClFN4O4.C22H16F4N4O3.C22H19F4N3O4.C22H21F4N3O3.C22H21FN4O4.C21H16F2N4O4/c1-5-18(15-10-32-11-15)27-23(31)21(29)19-12(2)20(28(4)13(19)3)22(30)26-16-6-7-17(24)14(8-16)9-25;1-5-23(9-6-10-23)27-22(31)20(29)18-13(2)19(28(4)14(18)3)21(30)26-16-7-8-17(24)15(11-16)12-25;1-4-22(8-14(29)9-22)27-21(32)19(30)16-11(2)28(3)18(17(16)23)20(31)26-13-5-6-15(24)12(7-13)10-25;1-4-22(8-14(29)9-22)27-21(32)18(30)16-11(2)17(28(3)19(16)23)20(31)26-13-5-6-15(24)12(7-13)10-25;1-4-21(9-22(25,26)10-21)29-20(33)18(31)15-11(2)30(3)17(16(15)24)19(32)28-13-5-6-14(23)12(7-13)8-27;1-5-21(9-33-10-21)28-20(32)18(30)16-11(2)17(29(4)12(16)3)19(31)27-13-6-7-15(23)14(8-13)22(24,25)26;1-7-21(4,5)28-20(32)18(30)16-11(2)17(29(6)12(16)3)19(31)27-13-8-9-15(23)14(10-13)22(24,25)26;1-5-15(8-9-28)25-22(31)20(29)18-12(2)19(27(4)13(18)3)21(30)26-16-6-7-17(23)14(10-16)11-24;1-4-21(9-31-10-21)26-20(30)18(28)15-11(2)27(3)17(16(15)23)19(29)25-13-5-6-14(22)12(7-13)8-24/h1,6-8,15,18H,10-11H2,2-4H3,(H,26,30)(H,27,31);5,7-8,11H,1,6,9-10H2,2-4H3,(H,26,30)(H,27,31);2*1,5-7,14,29H,8-9H2,2-3H3,(H,26,31)(H,27,32);1,5-7H,9-10H2,2-3H3,(H,28,32)(H,29,33);1,6-8H,9-10H2,2-4H3,(H,27,31)(H,28,32);1,8-10H,2-6H3,(H,27,31)(H,28,32);1,6-7,10,15,28H,8-9H2,2-4H3,(H,25,31)(H,26,30);1,5-7H,9-10H2,2-3H3,(H,25,29)(H,26,30)
InChIKeyLDFZFRXPMDNBLZ-UHFFFAOYSA-N
XLogP21.69
TPSA976.71 Ų
H-Bond Donors21
H-Bond Acceptors49
Rotatable Bonds49
Heavy Atoms287
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004000.65
LogP ≤ 521.69
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1049

Analyze 3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide (CID 159316833) is 3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide is C#CC(C)(C)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)n(C)c1C.C#CC(CCO)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1C.C#CC(NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1C)C1COC1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2Cl)CC(O)C1.C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)n(C)c2C)COC1.C#CC1(NC(=O)C(=O)c2c(Cl)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)CC(O)C1.C#CC1(NC(=O)C(=O)c2c(F)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)CC(F)(F)C1.C#CC1(NC(=O)C(=O)c2c(F)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)COC1.C=CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)CCC1.
What is the InChIKey of 3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide?
The InChIKey is LDFZFRXPMDNBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4.C23H23FN4O3.2C22H18ClFN4O4.C22H16F4N4O3.C22H19F4N3O4.C22H21F4N3O3.C22H21FN4O4.C21H16F2N4O4/c1-5-18(15-10-32-11-15)27-23(31)21(29)19-12(2)20(28(4)13(19)3)22(30)26-16-6-7-17(24)14(8-16)9-25;1-5-23(9-6-10-23)27-22(31)20(29)18-13(2)19(28(4)14(18)3)21(30)26-16-7-8-17(24)15(11-16)12-25;1-4-22(8-14(29)9-22)27-21(32)19(30)16-11(2)28(3)18(17(16)23)20(31)26-13-5-6-15(24)12(7-13)10-25;1-4-22(8-14(29)9-22)27-21(32)18(30)16-11(2)17(28(3)19(16)23)20(31)26-13-5-6-15(24)12(7-13)10-25;1-4-21(9-22(25,26)10-21)29-20(33)18(31)15-11(2)30(3)17(16(15)24)19(32)28-13-5-6-14(23)12(7-13)8-27;1-5-21(9-33-10-21)28-20(32)18(30)16-11(2)17(29(4)12(16)3)19(31)27-13-6-7-15(23)14(8-13)22(24,25)26;1-7-21(4,5)28-20(32)18(30)16-11(2)17(29(6)12(16)3)19(31)27-13-8-9-15(23)14(10-13)22(24,25)26;1-5-15(8-9-28)25-22(31)20(29)18-12(2)19(27(4)13(18)3)21(30)26-16-6-7-17(23)14(10-16)11-24;1-4-21(9-31-10-21)26-20(30)18(28)15-11(2)27(3)17(16(15)23)19(29)25-13-5-6-14(22)12(7-13)8-24/h1,6-8,15,18H,10-11H2,2-4H3,(H,26,30)(H,27,31);5,7-8,11H,1,6,9-10H2,2-4H3,(H,26,30)(H,27,31);2*1,5-7,14,29H,8-9H2,2-3H3,(H,26,31)(H,27,32);1,5-7H,9-10H2,2-3H3,(H,28,32)(H,29,33);1,6-8H,9-10H2,2-4H3,(H,27,31)(H,28,32);1,8-10H,2-6H3,(H,27,31)(H,28,32);1,6-7,10,15,28H,8-9H2,2-4H3,(H,25,31)(H,26,30);1,5-7H,9-10H2,2-3H3,(H,25,29)(H,26,30).
What are the key properties of 3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide?
3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide has a molecular weight of 4000.65 g/mol, XLogP of 21.69, 49 rotatable bonds, 21 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,5-dimethylpyrrole-2-carboxamide;5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3-hydroxycyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethynyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-3-fluoro-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[2-(5-hydroxypent-1-yn-3-ylamino)-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[1-(oxetan-3-yl)prop-2-ynylamino]-2-oxoacetyl]pyrrole-2-carboxamide;4-[2-[(3-ethynyloxetan-3-yl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethyl-4-[2-(2-methylbut-3-yn-2-ylamino)-2-oxoacetyl]pyrrole-2-carboxamide is sourced from PubChem (CID 159316833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).