[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane

C165H178F6N17O26P-2 — CID 163679704

IUPAC[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane
SMILESC.C.C#CC(C)(COC(=O)C(N)C(C)C)CC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)n(C)c1C.C#CC(C)(COP(=O)([O-])[O-])CC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)n(C)c1C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)C3=CC=CCC3=O)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ccc4c(c3)N=CC4)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)C3=CC=CCC3=O)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ccc4c(c3)N=CC4)c(C)n2C)ccc1F
InChIInChI=1S/C29H27FN4O3.C29H30FN3O3.C28H34FN3O5.C27H26FN3O4.C27H29FN2O4.C23H26FN2O7P.2CH4/c1-16-25(17(2)34(6)26(16)28(37)33-20-9-10-21(30)23(14-20)31-5)27(36)24(35)15-29(3,4)19-8-7-18-11-12-32-22(18)13-19;1-16-13-21(9-10-22(16)30)32-28(36)26-17(2)25(18(3)33(26)6)27(35)24(34)15-29(4,5)20-8-7-19-11-12-31-23(19)14-20;1-9-28(7,14-37-27(36)23(30)15(2)3)13-21(33)25(34)22-17(5)24(32(8)18(22)6)26(35)31-19-10-11-20(29)16(4)12-19;1-15-23(25(34)22(33)14-27(3,4)18-9-7-8-10-21(18)32)16(2)31(6)24(15)26(35)30-17-11-12-19(28)20(13-17)29-5;1-15-13-18(11-12-20(15)28)29-26(34)24-16(2)23(17(3)30(24)6)25(33)22(32)14-27(4,5)19-9-7-8-10-21(19)31;1-7-23(5,12-33-34(30,31)32)11-18(27)21(28)19-14(3)20(26(6)15(19)4)22(29)25-16-8-9-17(24)13(2)10-16;;/h7-10,12-14H,11,15H2,1-4,6H3,(H,33,37);7-10,12-14H,11,15H2,1-6H3,(H,32,36);1,10-12,15,23H,13-14,30H2,2-8H3,(H,31,35);7-9,11-13H,10,14H2,1-4,6H3,(H,30,35);7-9,11-13H,10,14H2,1-6H3,(H,29,34);1,8-10H,11-12H2,2-6H3,(H,25,29)(H2,30,31,32);2*1H4/p-2
InChIKeyJJTWVJZCYSSTKX-UHFFFAOYSA-L
MW2960.29 g/mol
LogP28.75
Rot. Bonds47

About [2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane

[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane (PubChem CID 163679704) has the molecular formula C165H178F6N17O26P-2 and a molecular weight of 2960.29 g/mol. Its IUPAC name is [2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane.

Molecular Properties

Compound Name[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane
PubChem CID163679704
Molecular FormulaC165H178F6N17O26P-2
Molecular Weight2960.29 g/mol
Exact Mass2958.28
IUPAC Name[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane
SMILESC.C.C#CC(C)(COC(=O)C(N)C(C)C)CC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)n(C)c1C.C#CC(C)(COP(=O)([O-])[O-])CC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)n(C)c1C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)C3=CC=CCC3=O)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ccc4c(c3)N=CC4)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)C3=CC=CCC3=O)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ccc4c(c3)N=CC4)c(C)n2C)ccc1F
InChIInChI=1S/C29H27FN4O3.C29H30FN3O3.C28H34FN3O5.C27H26FN3O4.C27H29FN2O4.C23H26FN2O7P.2CH4/c1-16-25(17(2)34(6)26(16)28(37)33-20-9-10-21(30)23(14-20)31-5)27(36)24(35)15-29(3,4)19-8-7-18-11-12-32-22(18)13-19;1-16-13-21(9-10-22(16)30)32-28(36)26-17(2)25(18(3)33(26)6)27(35)24(34)15-29(4,5)20-8-7-19-11-12-31-23(19)14-20;1-9-28(7,14-37-27(36)23(30)15(2)3)13-21(33)25(34)22-17(5)24(32(8)18(22)6)26(35)31-19-10-11-20(29)16(4)12-19;1-15-23(25(34)22(33)14-27(3,4)18-9-7-8-10-21(18)32)16(2)31(6)24(15)26(35)30-17-11-12-19(28)20(13-17)29-5;1-15-13-18(11-12-20(15)28)29-26(34)24-16(2)23(17(3)30(24)6)25(33)22(32)14-27(4,5)19-9-7-8-10-21(19)31;1-7-23(5,12-33-34(30,31)32)11-18(27)21(28)19-14(3)20(26(6)15(19)4)22(29)25-16-8-9-17(24)13(2)10-16;;/h7-10,12-14H,11,15H2,1-4,6H3,(H,33,37);7-10,12-14H,11,15H2,1-6H3,(H,32,36);1,10-12,15,23H,13-14,30H2,2-8H3,(H,31,35);7-9,11-13H,10,14H2,1-4,6H3,(H,30,35);7-9,11-13H,10,14H2,1-6H3,(H,29,34);1,8-10H,11-12H2,2-6H3,(H,25,29)(H2,30,31,32);2*1H4/p-2
InChIKeyJJTWVJZCYSSTKX-UHFFFAOYSA-L
XLogP28.75
TPSA601.34 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds47
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002960.29
LogP ≤ 528.75
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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] (2S)-2-amino-3-methylbutanoate
CID 157322339
4-[4-[[dihydroxy(methylidene)-λ5-phosphanyl]oxymethyl]-4-methyl-2-oxohex-5-ynoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide
CID 163759682
N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylpyrazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide
CID 159632092
[2-[[2-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-oxoacetyl]amino]-2-methylbut-3-ynyl] phosphate
CID 155705760
N-(4-fluoro-3-methylphenyl)-4-[2-[[(2R)-1-hydroxy-2-methylbut-3-yn-2-yl]amino]-2-oxoacetyl]-1,3,5-trimethylpyrrole-2-carboxamide
CID 163953287
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-(4-fluoro-3-isocyanophenyl)-1,2,4-trimethyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]pyrrole-3-carboxamide
CID 155767943
methyl 2-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-hydroxypropanoate
CID 160686469
[2-[[2-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-oxoacetyl]amino]-2-methylpropyl] 2,2-dimethylpropanoate
CID 155177309
N-(4-fluoro-3-isocyanophenyl)-2,4-dimethyl-5-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetyl]-1-(trideuteriomethyl)pyrrole-3-carboxamide
CID 155767914
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
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

Frequently Asked Questions

What is the IUPAC name of [2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane?
The IUPAC name of [2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane (CID 163679704) is [2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane.
What is the SMILES notation for [2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane?
The canonical SMILES for [2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane is C.C.C#CC(C)(COC(=O)C(N)C(C)C)CC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)n(C)c1C.C#CC(C)(COP(=O)([O-])[O-])CC(=O)C(=O)c1c(C)c(C(=O)Nc2ccc(F)c(C)c2)n(C)c1C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)C3=CC=CCC3=O)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ccc4c(c3)N=CC4)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)C3=CC=CCC3=O)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ccc4c(c3)N=CC4)c(C)n2C)ccc1F.
What is the InChIKey of [2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane?
The InChIKey is JJTWVJZCYSSTKX-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H27FN4O3.C29H30FN3O3.C28H34FN3O5.C27H26FN3O4.C27H29FN2O4.C23H26FN2O7P.2CH4/c1-16-25(17(2)34(6)26(16)28(37)33-20-9-10-21(30)23(14-20)31-5)27(36)24(35)15-29(3,4)19-8-7-18-11-12-32-22(18)13-19;1-16-13-21(9-10-22(16)30)32-28(36)26-17(2)25(18(3)33(26)6)27(35)24(34)15-29(4,5)20-8-7-19-11-12-31-23(19)14-20;1-9-28(7,14-37-27(36)23(30)15(2)3)13-21(33)25(34)22-17(5)24(32(8)18(22)6)26(35)31-19-10-11-20(29)16(4)12-19;1-15-23(25(34)22(33)14-27(3,4)18-9-7-8-10-21(18)32)16(2)31(6)24(15)26(35)30-17-11-12-19(28)20(13-17)29-5;1-15-13-18(11-12-20(15)28)29-26(34)24-16(2)23(17(3)30(24)6)25(33)22(32)14-27(4,5)19-9-7-8-10-21(19)31;1-7-23(5,12-33-34(30,31)32)11-18(27)21(28)19-14(3)20(26(6)15(19)4)22(29)25-16-8-9-17(24)13(2)10-16;;/h7-10,12-14H,11,15H2,1-4,6H3,(H,33,37);7-10,12-14H,11,15H2,1-6H3,(H,32,36);1,10-12,15,23H,13-14,30H2,2-8H3,(H,31,35);7-9,11-13H,10,14H2,1-4,6H3,(H,30,35);7-9,11-13H,10,14H2,1-6H3,(H,29,34);1,8-10H,11-12H2,2-6H3,(H,25,29)(H2,30,31,32);2*1H4/p-2.
What are the key properties of [2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane?
[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane has a molecular weight of 2960.29 g/mol, XLogP of 28.75, 47 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] 2-amino-3-methylbutanoate;[2-ethynyl-5-[5-[(4-fluoro-3-methylphenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-methyl-4,5-dioxopentyl] phosphate;N-(4-fluoro-3-isocyanophenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-4-[4-(3H-indol-6-yl)-4-methyl-2-oxopentanoyl]-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-2-oxo-4-(6-oxocyclohexa-1,3-dien-1-yl)pentanoyl]pyrrole-2-carboxamide;methane is sourced from PubChem (CID 163679704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).