5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

C135H162F6N24O27S3 — CID 159344016

IUPAC5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
SMILESCC(=O)N1CC[C@@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C1.CC(=O)N1CC[C@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C1.CC(=O)NC1CC(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CC(NS(C)(=O)=O)C3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)n(C)c2C)ccc1F
InChIInChI=1S/3C23H27FN4O4.3C22H27FN4O5S/c1-11-8-15(6-7-18(11)24)26-22(31)19-12(2)20(28(5)13(19)3)21(30)23(32)27-17-9-16(10-17)25-14(4)29;2*1-12-10-16(6-7-18(12)24)25-22(31)19-13(2)20(27(5)14(19)3)21(30)23(32)26-17-8-9-28(11-17)15(4)29;1-11-8-14(6-7-17(11)23)24-21(29)18-12(2)19(27(4)13(18)3)20(28)22(30)25-15-9-16(10-15)26-33(5,31)32;2*1-12-10-15(6-7-17(12)23)24-21(29)18-13(2)19(26(4)14(18)3)20(28)22(30)25-16-8-9-27(11-16)33(5,31)32/h6-8,16-17H,9-10H2,1-5H3,(H,25,29)(H,26,31)(H,27,32);2*6-7,10,17H,8-9,11H2,1-5H3,(H,25,31)(H,26,32);6-8,15-16,26H,9-10H2,1-5H3,(H,24,29)(H,25,30);2*6-7,10,16H,8-9,11H2,1-5H3,(H,24,29)(H,25,30)/t;2*17-;;2*16-/m.10.10/s1
InChIKeyLGMLKQXEGUYKDY-MIQCZMJESA-N
MW2763.11 g/mol
LogP11.90
Rot. Bonds35

About 5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide

5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (PubChem CID 159344016) has the molecular formula C135H162F6N24O27S3 and a molecular weight of 2763.11 g/mol. Its IUPAC name is 5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
PubChem CID159344016
Molecular FormulaC135H162F6N24O27S3
Molecular Weight2763.11 g/mol
Exact Mass2761.11
IUPAC Name5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide
SMILESCC(=O)N1CC[C@@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C1.CC(=O)N1CC[C@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C1.CC(=O)NC1CC(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CC(NS(C)(=O)=O)C3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)n(C)c2C)ccc1F
InChIInChI=1S/3C23H27FN4O4.3C22H27FN4O5S/c1-11-8-15(6-7-18(11)24)26-22(31)19-12(2)20(28(5)13(19)3)21(30)23(32)27-17-9-16(10-17)25-14(4)29;2*1-12-10-16(6-7-18(12)24)25-22(31)19-13(2)20(27(5)14(19)3)21(30)23(32)26-17-8-9-28(11-17)15(4)29;1-11-8-14(6-7-17(11)23)24-21(29)18-12(2)19(27(4)13(18)3)20(28)22(30)25-15-9-16(10-15)26-33(5,31)32;2*1-12-10-15(6-7-17(12)23)24-21(29)18-13(2)19(26(4)14(18)3)20(28)22(30)25-16-8-9-27(11-16)33(5,31)32/h6-8,16-17H,9-10H2,1-5H3,(H,25,29)(H,26,31)(H,27,32);2*6-7,10,17H,8-9,11H2,1-5H3,(H,25,31)(H,26,32);6-8,15-16,26H,9-10H2,1-5H3,(H,24,29)(H,25,30);2*6-7,10,16H,8-9,11H2,1-5H3,(H,24,29)(H,25,30)/t;2*17-;;2*16-/m.10.10/s1
InChIKeyLGMLKQXEGUYKDY-MIQCZMJESA-N
XLogP11.90
TPSA671.85 Ų
H-Bond Donors14
H-Bond Acceptors33
Rotatable Bonds35
Heavy Atoms195
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002763.11
LogP ≤ 511.90
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?
The IUPAC name of 5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide (CID 159344016) is 5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?
The canonical SMILES for 5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is CC(=O)N1CC[C@@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C1.CC(=O)N1CC[C@H](NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C1.CC(=O)NC1CC(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)c(C)n2C)C1.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3CC(NS(C)(=O)=O)C3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)n(C)c2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)n(C)c2C)ccc1F.
What is the InChIKey of 5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?
The InChIKey is LGMLKQXEGUYKDY-MIQCZMJESA-N. The full InChI is InChI=1S/3C23H27FN4O4.3C22H27FN4O5S/c1-11-8-15(6-7-18(11)24)26-22(31)19-12(2)20(28(5)13(19)3)21(30)23(32)27-17-9-16(10-17)25-14(4)29;2*1-12-10-16(6-7-18(12)24)25-22(31)19-13(2)20(27(5)14(19)3)21(30)23(32)26-17-8-9-28(11-17)15(4)29;1-11-8-14(6-7-17(11)23)24-21(29)18-12(2)19(27(4)13(18)3)20(28)22(30)25-15-9-16(10-15)26-33(5,31)32;2*1-12-10-15(6-7-17(12)23)24-21(29)18-13(2)19(26(4)14(18)3)20(28)22(30)25-16-8-9-27(11-16)33(5,31)32/h6-8,16-17H,9-10H2,1-5H3,(H,25,29)(H,26,31)(H,27,32);2*6-7,10,17H,8-9,11H2,1-5H3,(H,25,31)(H,26,32);6-8,15-16,26H,9-10H2,1-5H3,(H,24,29)(H,25,30);2*6-7,10,16H,8-9,11H2,1-5H3,(H,24,29)(H,25,30)/t;2*17-;;2*16-/m.10.10/s1.
What are the key properties of 5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide?
5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide has a molecular weight of 2763.11 g/mol, XLogP of 11.90, 35 rotatable bonds, 14 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-acetamidocyclobutyl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3S)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[[(3R)-1-acetylpyrrolidin-3-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-5-[2-[[3-(methanesulfonamido)cyclobutyl]amino]-2-oxoacetyl]-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]-2-oxoacetyl]pyrrole-3-carboxamide is sourced from PubChem (CID 159344016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).