N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide

C185H173F15N24O29 — CID 157206144

IUPACN-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide
SMILESC#C[C@@H](CC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)n(C)c1C)C1CC1.C#C[C@@H](CO)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C.C#C[C@H](CC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)n(C)c1C)C1CC1.C#C[C@H](CO)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C.C=C[C@H](CC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1C)C(F)(F)F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)C[C@@H](C#C)C3COC3)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)C[C@@H](C#C)CCO)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)C[C@H](C#C)C3COC3)c(C)n2C)ccc1F
InChIInChI=1S/2C24H22F4N2O3.2C24H22FN3O4.C23H22FN3O4.C22H19F4N3O3.2C22H22N4O4/c2*1-5-14(15-6-7-15)10-19(31)22(32)20-12(2)21(30(4)13(20)3)23(33)29-16-8-9-18(25)17(11-16)24(26,27)28;2*1-6-15(16-11-32-12-16)9-20(29)23(30)21-13(2)22(28(5)14(21)3)24(31)27-17-7-8-18(25)19(10-17)26-4;1-6-15(9-10-28)11-19(29)22(30)20-13(2)21(27(5)14(20)3)23(31)26-16-7-8-17(24)18(12-16)25-4;1-5-14(22(24,25)26)9-17(30)20(31)18-11(2)19(29(4)12(18)3)21(32)28-15-6-7-16(23)13(8-15)10-27;2*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/h2*1,8-9,11,14-15H,6-7,10H2,2-4H3,(H,29,33);2*1,7-8,10,15-16H,9,11-12H2,2-3,5H3,(H,27,31);1,7-8,12,15,28H,9-11H2,2-3,5H3,(H,26,31);5-8,14H,1,9H2,2-4H3,(H,28,32);2*1,7-9,16,27H,11H2,2-5H3,(H,24,30)(H,25,29)/t2*14-;3*15-;14-;2*16-/m10100110/s1
InChIKeyARJPHVLQVONOHF-AVTHHJIJSA-N
MW3481.53 g/mol
LogP27.45
Rot. Bonds55

About N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide

N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide (PubChem CID 157206144) has the molecular formula C185H173F15N24O29 and a molecular weight of 3481.53 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide
PubChem CID157206144
Molecular FormulaC185H173F15N24O29
Molecular Weight3481.53 g/mol
Exact Mass3479.26
IUPAC NameN-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide
SMILESC#C[C@@H](CC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)n(C)c1C)C1CC1.C#C[C@@H](CO)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C.C#C[C@H](CC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)n(C)c1C)C1CC1.C#C[C@H](CO)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C.C=C[C@H](CC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1C)C(F)(F)F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)C[C@@H](C#C)C3COC3)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)C[C@@H](C#C)CCO)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)C[C@H](C#C)C3COC3)c(C)n2C)ccc1F
InChIInChI=1S/2C24H22F4N2O3.2C24H22FN3O4.C23H22FN3O4.C22H19F4N3O3.2C22H22N4O4/c2*1-5-14(15-6-7-15)10-19(31)22(32)20-12(2)21(30(4)13(20)3)23(33)29-16-8-9-18(25)17(11-16)24(26,27)28;2*1-6-15(16-11-32-12-16)9-20(29)23(30)21-13(2)22(28(5)14(21)3)24(31)27-17-7-8-18(25)19(10-17)26-4;1-6-15(9-10-28)11-19(29)22(30)20-13(2)21(27(5)14(20)3)23(31)26-16-7-8-17(24)18(12-16)25-4;1-5-14(22(24,25)26)9-17(30)20(31)18-11(2)19(29(4)12(18)3)21(32)28-15-6-7-16(23)13(8-15)10-27;2*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/h2*1,8-9,11,14-15H,6-7,10H2,2-4H3,(H,29,33);2*1,7-8,10,15-16H,9,11-12H2,2-3,5H3,(H,27,31);1,7-8,12,15,28H,9-11H2,2-3,5H3,(H,26,31);5-8,14H,1,9H2,2-4H3,(H,28,32);2*1,7-9,16,27H,11H2,2-5H3,(H,24,30)(H,25,29)/t2*14-;3*15-;14-;2*16-/m10100110/s1
InChIKeyARJPHVLQVONOHF-AVTHHJIJSA-N
XLogP27.45
TPSA733.02 Ų
H-Bond Donors13
H-Bond Acceptors40
Rotatable Bonds55
Heavy Atoms253
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003481.53
LogP ≤ 527.45
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1040

Analyze N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]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-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide (CID 157206144) is N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide is C#C[C@@H](CC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)n(C)c1C)C1CC1.C#C[C@@H](CO)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C.C#C[C@H](CC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)n(C)c1C)C1CC1.C#C[C@H](CO)NC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(C)c(C#N)c2)n(C)c1C.C=C[C@H](CC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1C)C(F)(F)F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)C[C@@H](C#C)C3COC3)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)C[C@@H](C#C)CCO)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)C[C@H](C#C)C3COC3)c(C)n2C)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide?
The InChIKey is ARJPHVLQVONOHF-AVTHHJIJSA-N. The full InChI is InChI=1S/2C24H22F4N2O3.2C24H22FN3O4.C23H22FN3O4.C22H19F4N3O3.2C22H22N4O4/c2*1-5-14(15-6-7-15)10-19(31)22(32)20-12(2)21(30(4)13(20)3)23(33)29-16-8-9-18(25)17(11-16)24(26,27)28;2*1-6-15(16-11-32-12-16)9-20(29)23(30)21-13(2)22(28(5)14(21)3)24(31)27-17-7-8-18(25)19(10-17)26-4;1-6-15(9-10-28)11-19(29)22(30)20-13(2)21(27(5)14(20)3)23(31)26-16-7-8-17(24)18(12-16)25-4;1-5-14(22(24,25)26)9-17(30)20(31)18-11(2)19(29(4)12(18)3)21(32)28-15-6-7-16(23)13(8-15)10-27;2*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/h2*1,8-9,11,14-15H,6-7,10H2,2-4H3,(H,29,33);2*1,7-8,10,15-16H,9,11-12H2,2-3,5H3,(H,27,31);1,7-8,12,15,28H,9-11H2,2-3,5H3,(H,26,31);5-8,14H,1,9H2,2-4H3,(H,28,32);2*1,7-9,16,27H,11H2,2-5H3,(H,24,30)(H,25,29)/t2*14-;3*15-;14-;2*16-/m10100110/s1.
What are the key properties of N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide?
N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide has a molecular weight of 3481.53 g/mol, XLogP of 27.45, 55 rotatable bonds, 13 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-1,3,5-trimethyl-4-[(4S)-2-oxo-4-(trifluoromethyl)hex-5-enoyl]pyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2R)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(3-cyano-4-methylphenyl)-4-[2-[[(2S)-1-hydroxybut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4S)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;4-[(4R)-4-cyclopropyl-2-oxohex-5-ynoyl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-4-[(4S)-4-(2-hydroxyethyl)-2-oxohex-5-ynoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4S)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[(4R)-4-(oxetan-3-yl)-2-oxohex-5-ynoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 157206144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).