4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane

C187H198F11N25O21 — CID 163979304

IUPAC4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane
SMILESC.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ccccn3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3cn(C)cn3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC3(c4ccccc4)CC(F)(F)C3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC3(c4cn(C5CC5)nn4)CC(F)(F)C3)c(C)n2C)ccc1F.Cc1ccc(C(C)(C)CC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)n(C)c2C)nc1.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ccc(C)cn3)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3cccnc3)c(C)n2C)ccc1F
InChIInChI=1S/C28H27F3N2O3.C27H28F3N5O3.C27H27FN4O3.C27H30FN3O3.C26H25FN4O3.C26H28FN3O3.C25H29FN4O3.CH4/c1-16-12-20(10-11-21(16)29)32-26(36)24-17(2)23(18(3)33(24)4)25(35)22(34)13-27(14-28(30,31)15-27)19-8-6-5-7-9-19;1-14-9-17(5-8-19(14)28)31-25(38)23-15(2)22(16(3)34(23)4)24(37)20(36)10-26(12-27(29,30)13-26)21-11-35(33-32-21)18-6-7-18;1-15-8-11-22(30-14-15)27(4,5)13-21(33)25(34)23-16(2)24(32(7)17(23)3)26(35)31-18-9-10-19(28)20(12-18)29-6;1-15-8-11-22(29-14-15)27(5,6)13-21(32)25(33)23-17(3)24(31(7)18(23)4)26(34)30-19-9-10-20(28)16(2)12-19;1-15-22(24(33)21(32)13-26(3,4)17-8-7-11-29-14-17)16(2)31(6)23(15)25(34)30-18-9-10-19(27)20(12-18)28-5;1-15-13-18(10-11-19(15)27)29-25(33)23-16(2)22(17(3)30(23)6)24(32)20(31)14-26(4,5)21-9-7-8-12-28-21;1-14-10-17(8-9-18(14)26)28-24(33)22-15(2)21(16(3)30(22)7)23(32)19(31)11-25(4,5)20-12-29(6)13-27-20;/h5-12H,13-15H2,1-4H3,(H,32,36);5,8-9,11,18H,6-7,10,12-13H2,1-4H3,(H,31,38);8-12,14H,13H2,1-5,7H3,(H,31,35);8-12,14H,13H2,1-7H3,(H,30,34);7-12,14H,13H2,1-4,6H3,(H,30,34);7-13H,14H2,1-6H3,(H,29,33);8-10,12-13H,11H2,1-7H3,(H,28,33);1H4
InChIKeySWYWUGDPLBAGIK-UHFFFAOYSA-N
MW3340.77 g/mol
LogP35.99
Rot. Bonds50

About 4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane

4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane (PubChem CID 163979304) has the molecular formula C187H198F11N25O21 and a molecular weight of 3340.77 g/mol. Its IUPAC name is 4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane.

Molecular Properties

Compound Name4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane
PubChem CID163979304
Molecular FormulaC187H198F11N25O21
Molecular Weight3340.77 g/mol
Exact Mass3338.50
IUPAC Name4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane
SMILESC.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ccccn3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3cn(C)cn3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC3(c4ccccc4)CC(F)(F)C3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC3(c4cn(C5CC5)nn4)CC(F)(F)C3)c(C)n2C)ccc1F.Cc1ccc(C(C)(C)CC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)n(C)c2C)nc1.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ccc(C)cn3)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3cccnc3)c(C)n2C)ccc1F
InChIInChI=1S/C28H27F3N2O3.C27H28F3N5O3.C27H27FN4O3.C27H30FN3O3.C26H25FN4O3.C26H28FN3O3.C25H29FN4O3.CH4/c1-16-12-20(10-11-21(16)29)32-26(36)24-17(2)23(18(3)33(24)4)25(35)22(34)13-27(14-28(30,31)15-27)19-8-6-5-7-9-19;1-14-9-17(5-8-19(14)28)31-25(38)23-15(2)22(16(3)34(23)4)24(37)20(36)10-26(12-27(29,30)13-26)21-11-35(33-32-21)18-6-7-18;1-15-8-11-22(30-14-15)27(4,5)13-21(33)25(34)23-16(2)24(32(7)17(23)3)26(35)31-18-9-10-19(28)20(12-18)29-6;1-15-8-11-22(29-14-15)27(5,6)13-21(32)25(33)23-17(3)24(31(7)18(23)4)26(34)30-19-9-10-20(28)16(2)12-19;1-15-22(24(33)21(32)13-26(3,4)17-8-7-11-29-14-17)16(2)31(6)23(15)25(34)30-18-9-10-19(27)20(12-18)28-5;1-15-13-18(10-11-19(15)27)29-25(33)23-16(2)22(17(3)30(23)6)24(32)20(31)14-26(4,5)21-9-7-8-12-28-21;1-14-10-17(8-9-18(14)26)28-24(33)22-15(2)21(16(3)30(22)7)23(32)19(31)11-25(4,5)20-12-29(6)13-27-20;/h5-12H,13-15H2,1-4H3,(H,32,36);5,8-9,11,18H,6-7,10,12-13H2,1-4H3,(H,31,38);8-12,14H,13H2,1-5,7H3,(H,31,35);8-12,14H,13H2,1-7H3,(H,30,34);7-12,14H,13H2,1-4,6H3,(H,30,34);7-13H,14H2,1-6H3,(H,29,33);8-10,12-13H,11H2,1-7H3,(H,28,33);1H4
InChIKeySWYWUGDPLBAGIK-UHFFFAOYSA-N
XLogP35.99
TPSA586.00 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds50
Heavy Atoms244
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003340.77
LogP ≤ 535.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

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'}

Analyze 4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane?
The IUPAC name of 4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane (CID 163979304) is 4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane.
What is the SMILES notation for 4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane?
The canonical SMILES for 4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane is C.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ccccn3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3cn(C)cn3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC3(c4ccccc4)CC(F)(F)C3)c(C)n2C)ccc1F.Cc1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC3(c4cn(C5CC5)nn4)CC(F)(F)C3)c(C)n2C)ccc1F.Cc1ccc(C(C)(C)CC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C)c3)n(C)c2C)nc1.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3ccc(C)cn3)c(C)n2C)ccc1F.[C-]#[N+]c1cc(NC(=O)c2c(C)c(C(=O)C(=O)CC(C)(C)c3cccnc3)c(C)n2C)ccc1F.
What is the InChIKey of 4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane?
The InChIKey is SWYWUGDPLBAGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N2O3.C27H28F3N5O3.C27H27FN4O3.C27H30FN3O3.C26H25FN4O3.C26H28FN3O3.C25H29FN4O3.CH4/c1-16-12-20(10-11-21(16)29)32-26(36)24-17(2)23(18(3)33(24)4)25(35)22(34)13-27(14-28(30,31)15-27)19-8-6-5-7-9-19;1-14-9-17(5-8-19(14)28)31-25(38)23-15(2)22(16(3)34(23)4)24(37)20(36)10-26(12-27(29,30)13-26)21-11-35(33-32-21)18-6-7-18;1-15-8-11-22(30-14-15)27(4,5)13-21(33)25(34)23-16(2)24(32(7)17(23)3)26(35)31-18-9-10-19(28)20(12-18)29-6;1-15-8-11-22(29-14-15)27(5,6)13-21(32)25(33)23-17(3)24(31(7)18(23)4)26(34)30-19-9-10-20(28)16(2)12-19;1-15-22(24(33)21(32)13-26(3,4)17-8-7-11-29-14-17)16(2)31(6)23(15)25(34)30-18-9-10-19(27)20(12-18)28-5;1-15-13-18(10-11-19(15)27)29-25(33)23-16(2)22(17(3)30(23)6)24(32)20(31)14-26(4,5)21-9-7-8-12-28-21;1-14-10-17(8-9-18(14)26)28-24(33)22-15(2)21(16(3)30(22)7)23(32)19(31)11-25(4,5)20-12-29(6)13-27-20;/h5-12H,13-15H2,1-4H3,(H,32,36);5,8-9,11,18H,6-7,10,12-13H2,1-4H3,(H,31,38);8-12,14H,13H2,1-5,7H3,(H,31,35);8-12,14H,13H2,1-7H3,(H,30,34);7-12,14H,13H2,1-4,6H3,(H,30,34);7-13H,14H2,1-6H3,(H,29,33);8-10,12-13H,11H2,1-7H3,(H,28,33);1H4.
What are the key properties of 4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane?
4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane has a molecular weight of 3340.77 g/mol, XLogP of 35.99, 50 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(1-cyclopropyltriazol-4-yl)-3,3-difluorocyclobutyl]-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;4-[3-(3,3-difluoro-1-phenylcyclobutyl)-2-oxopropanoyl]-N-(4-fluoro-3-methylphenyl)-1,3,5-trimethylpyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-isocyanophenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-3-ylpentanoyl)pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(1-methylimidazol-4-yl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-[4-methyl-4-(5-methyl-2-pyridinyl)-2-oxopentanoyl]pyrrole-2-carboxamide;N-(4-fluoro-3-methylphenyl)-1,3,5-trimethyl-4-(4-methyl-2-oxo-4-pyridin-2-ylpentanoyl)pyrrole-2-carboxamide;methane is sourced from PubChem (CID 163979304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).