1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

C122H146F6N32O18S7 — CID 159460135

IUPAC1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCC(C)c1cc(F)cc(-c2ccccc2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2ccncc2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2ccnn2C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2ccnn2C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cncs2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C22H25FN4O3S.C21H24FN5O3S.3C20H25FN6O3S.C19H22FN5O3S2/c1-14(2)18-12-17(23)13-19(16-8-6-5-7-9-16)21(18)24-22(28)26-31(29,30)20-10-11-27(25-20)15(3)4;1-13(2)17-11-16(22)12-18(15-5-8-23-9-6-15)20(17)24-21(28)26-31(29,30)19-7-10-27(25-19)14(3)4;2*1-12(2)15-10-14(21)11-16(17-6-8-22-26(17)5)19(15)23-20(28)25-31(29,30)18-7-9-27(24-18)13(3)4;1-12(2)16-8-15(21)9-17(14-10-22-26(5)11-14)19(16)23-20(28)25-31(29,30)18-6-7-27(24-18)13(3)4;1-11(2)14-7-13(20)8-15(16-9-21-10-29-16)18(14)22-19(26)24-30(27,28)17-5-6-25(23-17)12(3)4/h5-15H,1-4H3,(H2,24,26,28);5-14H,1-4H3,(H2,24,26,28);3*6-13H,1-5H3,(H2,23,25,28);5-12H,1-4H3,(H2,22,24,26)
InChIKeyLUMIVDGCAJFFJB-UHFFFAOYSA-N
MW2687.17 g/mol
LogP24.48
Rot. Bonds36

About 1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea

1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (PubChem CID 159460135) has the molecular formula C122H146F6N32O18S7 and a molecular weight of 2687.17 g/mol. Its IUPAC name is 1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.

Molecular Properties

Compound Name1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
PubChem CID159460135
Molecular FormulaC122H146F6N32O18S7
Molecular Weight2687.17 g/mol
Exact Mass2684.94
IUPAC Name1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
SMILESCC(C)c1cc(F)cc(-c2ccccc2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2ccncc2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2ccnn2C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2ccnn2C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cncs2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1
InChIInChI=1S/C22H25FN4O3S.C21H24FN5O3S.3C20H25FN6O3S.C19H22FN5O3S2/c1-14(2)18-12-17(23)13-19(16-8-6-5-7-9-16)21(18)24-22(28)26-31(29,30)20-10-11-27(25-20)15(3)4;1-13(2)17-11-16(22)12-18(15-5-8-23-9-6-15)20(17)24-21(28)26-31(29,30)19-7-10-27(25-19)14(3)4;2*1-12(2)15-10-14(21)11-16(17-6-8-22-26(17)5)19(15)23-20(28)25-31(29,30)18-7-9-27(24-18)13(3)4;1-12(2)16-8-15(21)9-17(14-10-22-26(5)11-14)19(16)23-20(28)25-31(29,30)18-6-7-27(24-18)13(3)4;1-11(2)14-7-13(20)8-15(16-9-21-10-29-16)18(14)22-19(26)24-30(27,28)17-5-6-25(23-17)12(3)4/h5-15H,1-4H3,(H2,24,26,28);5-14H,1-4H3,(H2,24,26,28);3*6-13H,1-5H3,(H2,23,25,28);5-12H,1-4H3,(H2,22,24,26)
InChIKeyLUMIVDGCAJFFJB-UHFFFAOYSA-N
XLogP24.48
TPSA637.78 Ų
H-Bond Donors12
H-Bond Acceptors39
Rotatable Bonds36
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002687.17
LogP ≤ 524.48
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1039

Analyze 1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea 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
5-[(4-butylphenyl)sulfonylmethyl]-1-methyl-3-thiophen-2-ylpyrazole;2-methyl-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]propane-2-sulfonamide;1-(2-methylphenyl)-5-(methylsulfonylmethyl)-3-thiophen-2-ylpyrazole;2-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methylsulfonyl]pyridine;3-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methylsulfonyl]pyridine;2-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methylsulfonyl]-1,3-thiazole;1-(2-methylphenyl)-3-thiophen-2-yl-5-(thiophen-2-ylsulfonylmethyl)pyrazole;1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide
CID 158457098
5-[(4-butylphenyl)sulfonylmethyl]-1-methyl-3-thiophen-2-ylpyrazole;2-methyl-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]propane-2-sulfonamide;1-(2-methylphenyl)-5-(methylsulfonylmethyl)-3-thiophen-2-ylpyrazole;3-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methylsulfonyl]pyridine;2-[[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methylsulfonyl]-1,3-thiazole;1-(2-methylphenyl)-3-thiophen-2-yl-5-(thiophen-2-ylsulfonylmethyl)pyrazole;1,1,1-trifluoro-N-[1-(2-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanesulfonamide
CID 159964916
6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole
CID 160628213
1-tert-butyl-3-[4-cyclopropyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylbutyl]urea;1-tert-butyl-3-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethylhexyl]urea;N-[3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-1,3-thiazol-2-amine;N-[2-[[1-(4-fluorophenyl)indazol-5-yl]-phenylmethyl]pentyl]ethanesulfonamide
CID 158296280
4-(dimethylamino)-N-(1-propan-2-ylpyrazol-3-yl)sulfonylpyridin-1-ium-1-carboximidate;2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylaniline;1-[2-(2,5-dimethylpyrazol-3-yl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 159196645
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
4-(dimethylamino)-N-(1-propan-2-ylpyrazol-3-yl)sulfonylpyridin-1-ium-1-carboximidate;4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylaniline;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 159508451
1-[4-Fluoro-2-(3-methylimidazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 159617590
4-(dimethylamino)-N-(1-propan-2-ylpyrazol-3-yl)sulfonylpyridin-1-ium-1-carboximidate;4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylaniline;1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 159861759
1-[2-(2-amino-4-pyridinyl)-4-fluoro-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(5-fluoro-3-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(3-methyl-4-pyridinyl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-(2-oxo-1H-pyridin-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea
CID 159911035

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The IUPAC name of 1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea (CID 159460135) is 1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea.
What is the SMILES notation for 1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The canonical SMILES for 1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is CC(C)c1cc(F)cc(-c2ccccc2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2ccncc2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2ccnn2C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2ccnn2C)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cncs2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.CC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1ccn(C(C)C)n1.
What is the InChIKey of 1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
The InChIKey is LUMIVDGCAJFFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3S.C21H24FN5O3S.3C20H25FN6O3S.C19H22FN5O3S2/c1-14(2)18-12-17(23)13-19(16-8-6-5-7-9-16)21(18)24-22(28)26-31(29,30)20-10-11-27(25-20)15(3)4;1-13(2)17-11-16(22)12-18(15-5-8-23-9-6-15)20(17)24-21(28)26-31(29,30)19-7-10-27(25-19)14(3)4;2*1-12(2)15-10-14(21)11-16(17-6-8-22-26(17)5)19(15)23-20(28)25-31(29,30)18-7-9-27(24-18)13(3)4;1-12(2)16-8-15(21)9-17(14-10-22-26(5)11-14)19(16)23-20(28)25-31(29,30)18-6-7-27(24-18)13(3)4;1-11(2)14-7-13(20)8-15(16-9-21-10-29-16)18(14)22-19(26)24-30(27,28)17-5-6-25(23-17)12(3)4/h5-15H,1-4H3,(H2,24,26,28);5-14H,1-4H3,(H2,24,26,28);3*6-13H,1-5H3,(H2,23,25,28);5-12H,1-4H3,(H2,22,24,26).
What are the key properties of 1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea?
1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea has a molecular weight of 2687.17 g/mol, XLogP of 24.48, 36 rotatable bonds, 12 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;bis(1-[4-fluoro-2-(2-methylpyrazol-3-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea);1-(4-fluoro-2-phenyl-6-propan-2-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-(4-fluoro-2-propan-2-yl-6-pyridin-4-ylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;1-[4-fluoro-2-propan-2-yl-6-(1,3-thiazol-5-yl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea is sourced from PubChem (CID 159460135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).