3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide

C107H128F5N31O19S5 — CID 158201102

IUPAC3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide
SMILESCC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1cn(C(C)C)cn1.COC(C)(C)c1cc(S(=O)(=O)NC(=O)Nc2c(-c3cccnc3)cc(F)cc2C(C)C)nn1C
InChIInChI=1S/C23H28FN5O4S.C22H25FN6O4S.C21H26FN7O4S.C21H24FN7O4S.C20H25FN6O3S/c1-14(2)17-10-16(24)11-18(15-8-7-9-25-13-15)21(17)26-22(30)28-34(31,32)20-12-19(29(5)27-20)23(3,4)33-6;1-13(2)16-9-15(23)10-17(14-7-6-8-24-12-14)20(16)25-22(31)27-34(32,33)19-11-18(29(5)26-19)21(30)28(3)4;1-12(2)15-7-14(22)8-16(13-10-23-28(5)11-13)19(15)24-21(31)26-34(32,33)18-9-17(29(6)25-18)20(30)27(3)4;1-12(2)15-6-14(22)7-16(13-9-23-11-24-10-13)19(15)25-21(31)27-34(32,33)18-8-17(29(5)26-18)20(30)28(3)4;1-12(2)16-6-15(21)7-17(14-8-23-26(5)9-14)19(16)24-20(28)25-31(29,30)18-10-27(11-22-18)13(3)4/h7-14H,1-6H3,(H2,26,28,30);6-13H,1-5H3,(H2,25,27,31);7-12H,1-6H3,(H2,24,26,31);6-12H,1-5H3,(H2,25,27,31);6-13H,1-5H3,(H2,24,25,28)
InChIKeyGAYFNCYQPNZJPY-UHFFFAOYSA-N
MW2407.72 g/mol
LogP15.38
Rot. Bonds31

About 3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide

3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide (PubChem CID 158201102) has the molecular formula C107H128F5N31O19S5 and a molecular weight of 2407.72 g/mol. Its IUPAC name is 3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide
PubChem CID158201102
Molecular FormulaC107H128F5N31O19S5
Molecular Weight2407.72 g/mol
Exact Mass2405.85
IUPAC Name3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide
SMILESCC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1cn(C(C)C)cn1.COC(C)(C)c1cc(S(=O)(=O)NC(=O)Nc2c(-c3cccnc3)cc(F)cc2C(C)C)nn1C
InChIInChI=1S/C23H28FN5O4S.C22H25FN6O4S.C21H26FN7O4S.C21H24FN7O4S.C20H25FN6O3S/c1-14(2)17-10-16(24)11-18(15-8-7-9-25-13-15)21(17)26-22(30)28-34(31,32)20-12-19(29(5)27-20)23(3,4)33-6;1-13(2)16-9-15(23)10-17(14-7-6-8-24-12-14)20(16)25-22(31)27-34(32,33)19-11-18(29(5)26-19)21(30)28(3)4;1-12(2)15-7-14(22)8-16(13-10-23-28(5)11-13)19(15)24-21(31)26-34(32,33)18-9-17(29(6)25-18)20(30)27(3)4;1-12(2)15-6-14(22)7-16(13-9-23-11-24-10-13)19(15)25-21(31)27-34(32,33)18-8-17(29(5)26-18)20(30)28(3)4;1-12(2)16-6-15(21)7-17(14-8-23-26(5)9-14)19(16)24-20(28)25-31(29,30)18-10-27(11-22-18)13(3)4/h7-14H,1-6H3,(H2,26,28,30);6-13H,1-5H3,(H2,25,27,31);7-12H,1-6H3,(H2,24,26,31);6-12H,1-5H3,(H2,25,27,31);6-13H,1-5H3,(H2,24,25,28)
InChIKeyGAYFNCYQPNZJPY-UHFFFAOYSA-N
XLogP15.38
TPSA622.81 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds31
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002407.72
LogP ≤ 515.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze 3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?
The IUPAC name of 3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide (CID 158201102) is 3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?
The canonical SMILES for 3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide is CC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1cn(C(C)C)cn1.COC(C)(C)c1cc(S(=O)(=O)NC(=O)Nc2c(-c3cccnc3)cc(F)cc2C(C)C)nn1C.
What is the InChIKey of 3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?
The InChIKey is GAYFNCYQPNZJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O4S.C22H25FN6O4S.C21H26FN7O4S.C21H24FN7O4S.C20H25FN6O3S/c1-14(2)17-10-16(24)11-18(15-8-7-9-25-13-15)21(17)26-22(30)28-34(31,32)20-12-19(29(5)27-20)23(3,4)33-6;1-13(2)16-9-15(23)10-17(14-7-6-8-24-12-14)20(16)25-22(31)27-34(32,33)19-11-18(29(5)26-19)21(30)28(3)4;1-12(2)15-7-14(22)8-16(13-10-23-28(5)11-13)19(15)24-21(31)26-34(32,33)18-9-17(29(6)25-18)20(30)27(3)4;1-12(2)15-6-14(22)7-16(13-9-23-11-24-10-13)19(15)25-21(31)27-34(32,33)18-8-17(29(5)26-18)20(30)28(3)4;1-12(2)16-6-15(21)7-17(14-8-23-26(5)9-14)19(16)24-20(28)25-31(29,30)18-10-27(11-22-18)13(3)4/h7-14H,1-6H3,(H2,26,28,30);6-13H,1-5H3,(H2,25,27,31);7-12H,1-6H3,(H2,24,26,31);6-12H,1-5H3,(H2,25,27,31);6-13H,1-5H3,(H2,24,25,28).
What are the key properties of 3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide?
3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide has a molecular weight of 2407.72 g/mol, XLogP of 15.38, 31 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-[5-(2-methoxypropan-2-yl)-1-methylpyrazol-3-yl]sulfonylurea;3-[(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)carbamoylsulfamoyl]-N,N,1-trimethylpyrazole-5-carboxamide is sourced from PubChem (CID 158201102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).