1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea

C112H144F5N33O15S5 — CID 159334891

IUPAC1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea
SMILESCC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.CC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.Cc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C)n2)n(C)n1
InChIInChI=1S/C24H31FN6O3S.C23H30FN7O3S.C22H30FN7O3S.C22H27FN6O3S.C21H26FN7O3S/c1-15(2)20-10-18(25)11-21(17-8-7-9-26-13-17)23(20)27-24(32)29-35(33,34)22-12-19(14-30(5)6)31(28-22)16(3)4;1-14(2)19-7-17(24)8-20(16-10-25-13-26-11-16)22(19)27-23(32)29-35(33,34)21-9-18(12-30(5)6)31(28-21)15(3)4;1-13(2)17-9-15(23)10-18(19-8-14(3)25-30(19)7)21(17)24-22(31)27-34(32,33)20-11-16(12-28(4)5)29(6)26-20;1-14(2)18-9-16(23)10-19(15-7-6-8-24-12-15)21(18)25-22(30)27-33(31,32)20-11-17(13-28(3)4)29(5)26-20;1-13(2)17-6-15(22)7-18(14-9-23-12-24-10-14)20(17)25-21(30)27-33(31,32)19-8-16(11-28(3)4)29(5)26-19/h7-13,15-16H,14H2,1-6H3,(H2,27,29,32);7-11,13-15H,12H2,1-6H3,(H2,27,29,32);8-11,13H,12H2,1-7H3,(H2,24,27,31);6-12,14H,13H2,1-5H3,(H2,25,27,30);6-10,12-13H,11H2,1-5H3,(H2,25,27,30)
InChIKeyLFKGEJAFDIOARD-UHFFFAOYSA-N
MW2447.92 g/mol
LogP17.11
Rot. Bonds37

About 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea

1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea (PubChem CID 159334891) has the molecular formula C112H144F5N33O15S5 and a molecular weight of 2447.92 g/mol. Its IUPAC name is 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea.

Molecular Properties

Compound Name1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea
PubChem CID159334891
Molecular FormulaC112H144F5N33O15S5
Molecular Weight2447.92 g/mol
Exact Mass2446.00
IUPAC Name1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea
SMILESCC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.CC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.Cc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C)n2)n(C)n1
InChIInChI=1S/C24H31FN6O3S.C23H30FN7O3S.C22H30FN7O3S.C22H27FN6O3S.C21H26FN7O3S/c1-15(2)20-10-18(25)11-21(17-8-7-9-26-13-17)23(20)27-24(32)29-35(33,34)22-12-19(14-30(5)6)31(28-22)16(3)4;1-14(2)19-7-17(24)8-20(16-10-25-13-26-11-16)22(19)27-23(32)29-35(33,34)21-9-18(12-30(5)6)31(28-21)15(3)4;1-13(2)17-9-15(23)10-18(19-8-14(3)25-30(19)7)21(17)24-22(31)27-34(32,33)20-11-16(12-28(4)5)29(6)26-20;1-14(2)18-9-16(23)10-19(15-7-6-8-24-12-15)21(18)25-22(30)27-33(31,32)20-11-17(13-28(3)4)29(5)26-20;1-13(2)17-6-15(22)7-18(14-9-23-12-24-10-14)20(17)25-21(30)27-33(31,32)19-8-16(11-28(3)4)29(5)26-19/h7-13,15-16H,14H2,1-6H3,(H2,27,29,32);7-11,13-15H,12H2,1-6H3,(H2,27,29,32);8-11,13H,12H2,1-7H3,(H2,24,27,31);6-12,14H,13H2,1-5H3,(H2,25,27,30);6-10,12-13H,11H2,1-5H3,(H2,25,27,30)
InChIKeyLFKGEJAFDIOARD-UHFFFAOYSA-N
XLogP17.11
TPSA576.81 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds37
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002447.92
LogP ≤ 517.11
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea with MolForge

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Launch Full Analysis

Related Compounds

1-[4-Fluoro-2-[3-[3-[5-fluoro-3-(2-methyl-4-pyridinyl)-2-[(1-propan-2-ylpyrazol-3-yl)sulfonylcarbamoylamino]phenyl]butyl]-1-methylpyrazol-5-yl]-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 137509745
1-[5-[(Dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-[4-[5-[2-[[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylcarbamoylamino]-5-fluoro-3-propan-2-ylphenyl]-1-methylpyrazol-3-yl]butan-2-yl]-4-fluoro-6-pyridin-3-ylphenyl]urea
CID 156345367
(3S,4R)-3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3R,4S)-3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 157110987
3-[2-(azetidin-1-yl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-[3-(difluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-5-methylpyrrolidine-2-carboxamide;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-fluoro-3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
CID 157469212
4-[5-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(2-methyl-5-pyridin-3-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-(2-methyl-5-pyrimidin-2-ylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-[5-[2-methyl-5-(2H-pyrrol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 157933484
1-[2-(2-Cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-ethylpyrazol-3-yl]sulfonylurea;1-[2-(2-cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-[4-fluoro-2-propan-2-yl-6-[2-(trifluoromethyl)-4-pyridinyl]phenyl]urea;1-[2-[2-(dimethylamino)-4-pyridinyl]-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 158938543
1-[6-(2,4-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;N,N-dimethyl-4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]aniline;1-[6-(3-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;hydrochloride
CID 159183249
1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(3-methylsulfonylphenyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[1-(5-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
CID 159472279
3-[2-cyclopropyl-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-[3-(difluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(3-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-5-methyl-1-pyridin-4-ylsulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
CID 159820554
1-[2-(2-Cyano-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonylurea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[4-fluoro-2-propan-2-yl-6-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 160050088
1-[5-fluoro-2-(4-fluorophenyl)sulfonyl-2-azabicyclo[2.2.1]heptan-3-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[6-methyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-fluoro-4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one;4-[3-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-oxopropyl]-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonitrile
CID 160464481
4-(dimethylamino)-N-(1-propan-2-ylpyrazol-3-yl)sulfonylpyridin-1-ium-1-carboximidate;4-fluoro-2-propan-2-yl-6-[2-(trifluoromethyl)-4-pyridinyl]aniline;1-[4-fluoro-2-propan-2-yl-6-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 161038375

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea?
The IUPAC name of 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea (CID 159334891) is 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea.
What is the SMILES notation for 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea?
The canonical SMILES for 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea is CC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.CC(C)c1cc(F)cc(-c2cccnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C(C)C)n1.CC(C)c1cc(F)cc(-c2cncnc2)c1NC(=O)NS(=O)(=O)c1cc(CN(C)C)n(C)n1.Cc1cc(-c2cc(F)cc(C(C)C)c2NC(=O)NS(=O)(=O)c2cc(CN(C)C)n(C)n2)n(C)n1.
What is the InChIKey of 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea?
The InChIKey is LFKGEJAFDIOARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O3S.C23H30FN7O3S.C22H30FN7O3S.C22H27FN6O3S.C21H26FN7O3S/c1-15(2)20-10-18(25)11-21(17-8-7-9-26-13-17)23(20)27-24(32)29-35(33,34)22-12-19(14-30(5)6)31(28-22)16(3)4;1-14(2)19-7-17(24)8-20(16-10-25-13-26-11-16)22(19)27-23(32)29-35(33,34)21-9-18(12-30(5)6)31(28-21)15(3)4;1-13(2)17-9-15(23)10-18(19-8-14(3)25-30(19)7)21(17)24-22(31)27-34(32,33)20-11-16(12-28(4)5)29(6)26-20;1-14(2)18-9-16(23)10-19(15-7-6-8-24-12-15)21(18)25-22(30)27-33(31,32)20-11-17(13-28(3)4)29(5)26-20;1-13(2)17-6-15(22)7-18(14-9-23-12-24-10-14)20(17)25-21(30)27-33(31,32)19-8-16(11-28(3)4)29(5)26-19/h7-13,15-16H,14H2,1-6H3,(H2,27,29,32);7-11,13-15H,12H2,1-6H3,(H2,27,29,32);8-11,13H,12H2,1-7H3,(H2,24,27,31);6-12,14H,13H2,1-5H3,(H2,25,27,30);6-10,12-13H,11H2,1-5H3,(H2,25,27,30).
What are the key properties of 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea?
1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea has a molecular weight of 2447.92 g/mol, XLogP of 17.11, 37 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)urea;1-[5-[(dimethylamino)methyl]-1-propan-2-ylpyrazol-3-yl]sulfonyl-3-(4-fluoro-2-propan-2-yl-6-pyrimidin-5-ylphenyl)urea is sourced from PubChem (CID 159334891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).