3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide

C168H152Cl2F13N21O23 — CID 159803161

IUPAC3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide
SMILESC=CC1(CC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(F)(F)C1.C=CC1(CC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)CCC1.C=CC1(CC(=O)C(=O)c2c(Cl)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(F)(F)C1.CC#CC1(CC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)COC1.CC#CC1(CC(=O)C(=O)c2c(Cl)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(F)(F)C1.[C-]#[N+]c1cc(NC(=O)c2c(F)c(C(=O)C(=O)CC3(C#C)CC(F)(F)C3)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(F)c(C(=O)C(=O)CC3(C#C)COC3)c(C)n2C)ccc1F
InChIInChI=1S/C25H22ClF2N3O3.C25H25F2N3O3.C25H25N3O4.C24H22ClF2N3O3.C24H24FN3O3.C23H17F4N3O3.C22H17F2N3O4/c1-5-8-24(12-25(27,28)13-24)10-18(32)22(33)19-15(3)31(4)21(20(19)26)23(34)30-17-7-6-14(2)16(9-17)11-29;1-6-24(12-25(26,27)13-24)10-19(31)22(32)20-15(3)21(30(5)16(20)4)23(33)29-18-8-7-14(2)17(9-18)11-28;1-6-9-25(13-32-14-25)11-20(29)23(30)21-16(3)22(28(5)17(21)4)24(31)27-19-8-7-15(2)18(10-19)12-26;1-5-23(11-24(26,27)12-23)9-17(31)21(32)18-14(3)30(4)20(19(18)25)22(33)29-16-7-6-13(2)15(8-16)10-28;1-5-24(9-6-10-24)12-19(29)22(30)20-14(2)21(28(4)15(20)3)23(31)27-17-7-8-18(25)16(11-17)13-26;1-5-22(10-23(26,27)11-22)9-16(31)20(32)17-12(2)30(4)19(18(17)25)21(33)29-13-6-7-14(24)15(8-13)28-3;1-5-22(10-31-11-22)9-16(28)20(29)17-12(2)27(4)19(18(17)24)21(30)26-13-6-7-14(23)15(8-13)25-3/h6-7,9H,10,12-13H2,1-4H3,(H,30,34);6-9H,1,10,12-13H2,2-5H3,(H,29,33);7-8,10H,11,13-14H2,1-5H3,(H,27,31);5-8H,1,9,11-12H2,2-4H3,(H,29,33);5,7-8,11H,1,6,9-10,12H2,2-4H3,(H,27,31);1,6-8H,9-11H2,2,4H3,(H,29,33);1,6-8H,9-11H2,2,4H3,(H,26,30)
InChIKeyNKBBBINEAKXCCJ-UHFFFAOYSA-N
MW3151.07 g/mol
LogP30.45
Rot. Bonds45

About 3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide

3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 159803161) has the molecular formula C168H152Cl2F13N21O23 and a molecular weight of 3151.07 g/mol. Its IUPAC name is 3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide
PubChem CID159803161
Molecular FormulaC168H152Cl2F13N21O23
Molecular Weight3151.07 g/mol
Exact Mass3148.05
IUPAC Name3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide
SMILESC=CC1(CC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(F)(F)C1.C=CC1(CC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)CCC1.C=CC1(CC(=O)C(=O)c2c(Cl)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(F)(F)C1.CC#CC1(CC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)COC1.CC#CC1(CC(=O)C(=O)c2c(Cl)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(F)(F)C1.[C-]#[N+]c1cc(NC(=O)c2c(F)c(C(=O)C(=O)CC3(C#C)CC(F)(F)C3)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(F)c(C(=O)C(=O)CC3(C#C)COC3)c(C)n2C)ccc1F
InChIInChI=1S/C25H22ClF2N3O3.C25H25F2N3O3.C25H25N3O4.C24H22ClF2N3O3.C24H24FN3O3.C23H17F4N3O3.C22H17F2N3O4/c1-5-8-24(12-25(27,28)13-24)10-18(32)22(33)19-15(3)31(4)21(20(19)26)23(34)30-17-7-6-14(2)16(9-17)11-29;1-6-24(12-25(26,27)13-24)10-19(31)22(32)20-15(3)21(30(5)16(20)4)23(33)29-18-8-7-14(2)17(9-18)11-28;1-6-9-25(13-32-14-25)11-20(29)23(30)21-16(3)22(28(5)17(21)4)24(31)27-19-8-7-15(2)18(10-19)12-26;1-5-23(11-24(26,27)12-23)9-17(31)21(32)18-14(3)30(4)20(19(18)25)22(33)29-16-7-6-13(2)15(8-16)10-28;1-5-24(9-6-10-24)12-19(29)22(30)20-14(2)21(28(4)15(20)3)23(31)27-17-7-8-18(25)16(11-17)13-26;1-5-22(10-23(26,27)11-22)9-16(31)20(32)17-12(2)30(4)19(18(17)25)21(33)29-13-6-7-14(24)15(8-13)28-3;1-5-22(10-31-11-22)9-16(28)20(29)17-12(2)27(4)19(18(17)24)21(30)26-13-6-7-14(23)15(8-13)25-3/h6-7,9H,10,12-13H2,1-4H3,(H,30,34);6-9H,1,10,12-13H2,2-5H3,(H,29,33);7-8,10H,11,13-14H2,1-5H3,(H,27,31);5-8H,1,9,11-12H2,2-4H3,(H,29,33);5,7-8,11H,1,6,9-10,12H2,2-4H3,(H,27,31);1,6-8H,9-11H2,2,4H3,(H,29,33);1,6-8H,9-11H2,2,4H3,(H,26,30)
InChIKeyNKBBBINEAKXCCJ-UHFFFAOYSA-N
XLogP30.45
TPSA623.32 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds45
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003151.07
LogP ≤ 530.45
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide
CID 159803165
5-chloro-N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3-dimethylpyrrole-2-carboxamide
CID 161441625
N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide
CID 155177230
N-(3-cyano-4-methylphenyl)-4-[2-[(1-ethenyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide
CID 158270797
N-(4-fluoro-3-isocyanophenyl)-4-[3-[3-(1H-imidazol-2-yl)oxetan-3-yl]-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide
CID 162203704
N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-2-[(3-prop-1-ynyloxetan-3-yl)amino]acetyl]pyrrole-2-carboxamide
CID 155705769
3-chloro-N-(3-cyano-4-fluorophenyl)-4-(4,4-dimethyl-2-oxopentanoyl)-1,5-dimethylpyrrole-2-carboxamide
CID 158199291
[[2-[5-[(3-cyano-4-fluorophenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-oxoacetyl]-(3-ethynyloxetan-3-yl)amino]methyl 2,2-dimethylpropanoate
CID 155169333
5-chloro-N-(3-cyano-4-fluorophenyl)-4-[2-[(1-ethenylcyclobutyl)amino]-2-oxoacetyl]-1,3-dimethylpyrrole-2-carboxamide
CID 157097904
N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[2-[[(1S)-1-(oxetan-3-yl)prop-2-ynyl]amino]-2-oxoacetyl]pyrrole-2-carboxamide
CID 155204570
N-(3-cyano-4-fluorophenyl)-1,2,4-trimethyl-5-oxaldehydoylpyrrole-3-carboxamide
CID 139551627
N-(3-cyano-4-fluorophenyl)-4-[2-[[(2S)-1-hydroxy-2-methylbut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide
CID 155925320

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide (CID 159803161) is 3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide is C=CC1(CC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(F)(F)C1.C=CC1(CC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)CCC1.C=CC1(CC(=O)C(=O)c2c(Cl)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(F)(F)C1.CC#CC1(CC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)COC1.CC#CC1(CC(=O)C(=O)c2c(Cl)c(C(=O)Nc3ccc(C)c(C#N)c3)n(C)c2C)CC(F)(F)C1.[C-]#[N+]c1cc(NC(=O)c2c(F)c(C(=O)C(=O)CC3(C#C)CC(F)(F)C3)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(F)c(C(=O)C(=O)CC3(C#C)COC3)c(C)n2C)ccc1F.
What is the InChIKey of 3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is NKBBBINEAKXCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N3O3.C25H25F2N3O3.C25H25N3O4.C24H22ClF2N3O3.C24H24FN3O3.C23H17F4N3O3.C22H17F2N3O4/c1-5-8-24(12-25(27,28)13-24)10-18(32)22(33)19-15(3)31(4)21(20(19)26)23(34)30-17-7-6-14(2)16(9-17)11-29;1-6-24(12-25(26,27)13-24)10-19(31)22(32)20-15(3)21(30(5)16(20)4)23(33)29-18-8-7-14(2)17(9-18)11-28;1-6-9-25(13-32-14-25)11-20(29)23(30)21-16(3)22(28(5)17(21)4)24(31)27-19-8-7-15(2)18(10-19)12-26;1-5-23(11-24(26,27)12-23)9-17(31)21(32)18-14(3)30(4)20(19(18)25)22(33)29-16-7-6-13(2)15(8-16)10-28;1-5-24(9-6-10-24)12-19(29)22(30)20-14(2)21(28(4)15(20)3)23(31)27-17-7-8-18(25)16(11-17)13-26;1-5-22(10-23(26,27)11-22)9-16(31)20(32)17-12(2)30(4)19(18(17)25)21(33)29-13-6-7-14(24)15(8-13)28-3;1-5-22(10-31-11-22)9-16(28)20(29)17-12(2)27(4)19(18(17)24)21(30)26-13-6-7-14(23)15(8-13)25-3/h6-7,9H,10,12-13H2,1-4H3,(H,30,34);6-9H,1,10,12-13H2,2-5H3,(H,29,33);7-8,10H,11,13-14H2,1-5H3,(H,27,31);5-8H,1,9,11-12H2,2-4H3,(H,29,33);5,7-8,11H,1,6,9-10,12H2,2-4H3,(H,27,31);1,6-8H,9-11H2,2,4H3,(H,29,33);1,6-8H,9-11H2,2,4H3,(H,26,30).
What are the key properties of 3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide?
3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 3151.07 g/mol, XLogP of 30.45, 45 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(3,3-difluoro-1-prop-1-ynylcyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;3-chloro-N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,5-dimethylpyrrole-2-carboxamide;N-(3-cyano-4-fluorophenyl)-4-[3-(1-ethenylcyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[3-(1-ethenyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-1,3,5-trimethyl-4-[2-oxo-3-(3-prop-1-ynyloxetan-3-yl)propanoyl]pyrrole-2-carboxamide;4-[3-(1-ethynyl-3,3-difluorocyclobutyl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide;4-[3-(3-ethynyloxetan-3-yl)-2-oxopropanoyl]-3-fluoro-N-(4-fluoro-3-isocyanophenyl)-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 159803161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).