2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid

C169H229N23O29S4 — CID 159046995

IUPAC2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid
SMILESCC(C)C(=O)O.CC(C)CC(=O)O.CC(C)CCC(=O)O.CC(C)Cc1ccccc1C(=O)O.CC(C)Cc1ccccc1O.CC(C)Cc1ccccc1OS(N)(=O)=O.CC(C)c1[nH]nc2ncccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccccc1C(=O)CS(=O)(=O)C1CC1.CC(C)c1ccccc1C(=O)CS(=O)(=O)c1ccccc1.CC(C)c1ccccc1C(=O)CS(C)(=O)=O.CC(C)c1nccnc1C(=O)O.CC(C)c1nnc2ccc(NC(=O)N(C)C)cn12.CC(C)c1nnccc1C(=O)O.CNC(=O)Nc1ccc2nnc(C(C)C)n2c1.CNCc1ccc2nnc(C(C)C)n2c1
InChIInChI=1S/C17H18O3S.C14H18O3S.C12H17N5O.C12H16O3S.C11H15N5O.C11H16N4.C11H13N.C11H14O2.C10H15NO3S.C10H12O2.C10H14O.C9H11N3.2C8H10N2O2.C6H12O2.C5H10O2.C4H8O2/c1-13(2)15-10-6-7-11-16(15)17(18)12-21(19,20)14-8-4-3-5-9-14;1-10(2)12-5-3-4-6-13(12)14(15)9-18(16,17)11-7-8-11;1-8(2)11-15-14-10-6-5-9(7-17(10)11)13-12(18)16(3)4;1-9(2)10-6-4-5-7-11(10)12(13)8-16(3,14)15;1-7(2)10-15-14-9-5-4-8(6-16(9)10)13-11(17)12-3;1-8(2)11-14-13-10-5-4-9(6-12-3)7-15(10)11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)7-9-5-3-4-6-10(9)11(12)13;1-8(2)7-9-5-3-4-6-10(9)14-15(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)7-9-5-3-4-6-10(9)11;1-6(2)8-7-4-3-5-10-9(7)12-11-8;1-5(2)6-7(8(11)12)10-4-3-9-6;1-5(2)7-6(8(11)12)3-4-9-10-7;1-5(2)3-4-6(7)8;1-4(2)3-5(6)7;1-3(2)4(5)6/h3-11,13H,12H2,1-2H3;3-6,10-11H,7-9H2,1-2H3;5-8H,1-4H3,(H,13,18);4-7,9H,8H2,1-3H3;4-7H,1-3H3,(H2,12,13,17);4-5,7-8,12H,6H2,1-3H3;3-8,12H,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);3-6,8H,7H2,1-2H3,(H2,11,12,13);3-7H,1-2H3,(H,11,12);3-6,8,11H,7H2,1-2H3;3-6H,1-2H3,(H,10,11,12);2*3-5H,1-2H3,(H,11,12);5H,3-4H2,1-2H3,(H,7,8);4H,3H2,1-2H3,(H,6,7);3H,1-2H3,(H,5,6)
InChIKeyJWTYXNLKRBDTNR-UHFFFAOYSA-N
MW3175.09 g/mol
LogP33.67
Rot. Bonds44

About 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid

2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid (PubChem CID 159046995) has the molecular formula C169H229N23O29S4 and a molecular weight of 3175.09 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid
PubChem CID159046995
Molecular FormulaC169H229N23O29S4
Molecular Weight3175.09 g/mol
Exact Mass3172.60
IUPAC Name2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid
SMILESCC(C)C(=O)O.CC(C)CC(=O)O.CC(C)CCC(=O)O.CC(C)Cc1ccccc1C(=O)O.CC(C)Cc1ccccc1O.CC(C)Cc1ccccc1OS(N)(=O)=O.CC(C)c1[nH]nc2ncccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccccc1C(=O)CS(=O)(=O)C1CC1.CC(C)c1ccccc1C(=O)CS(=O)(=O)c1ccccc1.CC(C)c1ccccc1C(=O)CS(C)(=O)=O.CC(C)c1nccnc1C(=O)O.CC(C)c1nnc2ccc(NC(=O)N(C)C)cn12.CC(C)c1nnccc1C(=O)O.CNC(=O)Nc1ccc2nnc(C(C)C)n2c1.CNCc1ccc2nnc(C(C)C)n2c1
InChIInChI=1S/C17H18O3S.C14H18O3S.C12H17N5O.C12H16O3S.C11H15N5O.C11H16N4.C11H13N.C11H14O2.C10H15NO3S.C10H12O2.C10H14O.C9H11N3.2C8H10N2O2.C6H12O2.C5H10O2.C4H8O2/c1-13(2)15-10-6-7-11-16(15)17(18)12-21(19,20)14-8-4-3-5-9-14;1-10(2)12-5-3-4-6-13(12)14(15)9-18(16,17)11-7-8-11;1-8(2)11-15-14-10-6-5-9(7-17(10)11)13-12(18)16(3)4;1-9(2)10-6-4-5-7-11(10)12(13)8-16(3,14)15;1-7(2)10-15-14-9-5-4-8(6-16(9)10)13-11(17)12-3;1-8(2)11-14-13-10-5-4-9(6-12-3)7-15(10)11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)7-9-5-3-4-6-10(9)11(12)13;1-8(2)7-9-5-3-4-6-10(9)14-15(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)7-9-5-3-4-6-10(9)11;1-6(2)8-7-4-3-5-10-9(7)12-11-8;1-5(2)6-7(8(11)12)10-4-3-9-6;1-5(2)7-6(8(11)12)3-4-9-10-7;1-5(2)3-4-6(7)8;1-4(2)3-5(6)7;1-3(2)4(5)6/h3-11,13H,12H2,1-2H3;3-6,10-11H,7-9H2,1-2H3;5-8H,1-4H3,(H,13,18);4-7,9H,8H2,1-3H3;4-7H,1-3H3,(H2,12,13,17);4-5,7-8,12H,6H2,1-3H3;3-8,12H,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);3-6,8H,7H2,1-2H3,(H2,11,12,13);3-7H,1-2H3,(H,11,12);3-6,8,11H,7H2,1-2H3;3-6H,1-2H3,(H,10,11,12);2*3-5H,1-2H3,(H,11,12);5H,3-4H2,1-2H3,(H,7,8);4H,3H2,1-2H3,(H,6,7);3H,1-2H3,(H,5,6)
InChIKeyJWTYXNLKRBDTNR-UHFFFAOYSA-N
XLogP33.67
TPSA789.34 Ų
H-Bond Donors15
H-Bond Acceptors38
Rotatable Bonds44
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003175.09
LogP ≤ 533.67
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1038

Analyze 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-(difluoromethyl)-3-methylimidazo[1,5-a]pyridine;3-(difluoromethyl)-1-methylimidazo[1,5-a]pyridine;1,3-dimethylimidazo[1,5-a]pyridine;N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide;N,1-dimethylindole-3-carboxamide;1,3-dimethylpyrrolo[2,3-b]pyridine;1,3-dimethylpyrrolo[3,2-b]pyridine;1,3-dimethylpyrrolo[2,3-c]pyridine;1,3-dimethylpyrrolo[3,2-c]pyridine;3-ethynyl-1-methylindazole;5-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one;1-methyl-2,3-dihydroindole;3-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,5-a]pyridine;1-methylimidazo[1,5-a]pyridine-3-carbaldehyde;3-methylimidazo[1,5-a]pyridine-1-carbaldehyde;3-methylimidazo[1,5-a]pyridine-1-carbonitrile;3-methyl-2H-indazole;1-methylindol-3-ol;(1-methylindol-3-yl)methanol;1-methyl-3-methylsulfonylindole;1-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyridine;3-methyl-1-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 159178514
1-(difluoromethyl)imidazo[1,5-a]pyridine;3-(difluoromethyl)imidazo[1,5-a]pyridine;2,7-dihydrocyclopenta[c]pyridin-1-one;2,3-dihydro-1H-indole;3-ethynyl-2H-indazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-a]pyridine-1-carbaldehyde;imidazo[1,5-a]pyridine-3-carbaldehyde;imidazo[1,5-a]pyridine-1-carbonitrile;1H-indazole;1H-indol-3-ol;1H-indol-3-ylmethanol;1-methylimidazo[1,5-a]pyridine;N-methylimidazo[1,5-a]pyridine-1-carboxamide;3-methyl-2H-indazole;N-methyl-1H-indole-3-carboxamide;3-methyl-1H-pyrrolo[2,3-b]pyridine;3-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[2,3-c]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridine;3-methylsulfonyl-1H-indole;1-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 161527728
2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-propan-2-yl-1H-imidazole;3-propan-2-ylpyrazine-2-carboxylic acid;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine-4-carboxylic acid
CID 157334559
1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;bis(2-(2-methylpropyl)benzoic acid);2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole
CID 157570287
2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;2-propan-2-ylbenzamide;3-propan-2-ylbenzamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;5-propan-2-yl-1H-imidazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid
CID 157715606
2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;bis(2-(2-methylpropyl)benzoic acid);2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;5-propan-2-yl-1H-imidazole;3-propan-2-ylpyrazine-2-carboxylic acid;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine-4-carboxylic acid
CID 158930435
2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;5-propan-2-yl-1H-imidazole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-yl-2H-pyrazolo[3,4-c]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid
CID 159964654
(2-amino-5-methyl-3-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-methylphenyl]-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-fluoro-1H-indazol-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-hydroxy-3-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[5-methyl-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]thiophen-2-yl]propan-2-one
CID 160941115
(2-amino-5-methyl-3-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(5-fluoro-1H-indazol-3-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-hydroxy-3-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;1H-indol-2-yl-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[5-methyl-2-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide;1-[3-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]thiophen-2-yl]propan-2-one
CID 161065396
2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;bis(2-(2-methylpropyl)benzoic acid);2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;5-propan-2-yl-1H-imidazole;3-propan-2-ylpyrazine-2-carboxylic acid;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine-4-carboxylic acid
CID 161215145
4-[4-(4-amino-7-pyridin-4-ylpyrrolo[2,3-d]pyrimidin-2-yl)piperazin-1-yl]phenol;1-[9-(carboxymethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-6-yl]indazole-3-carboxylic acid;2-[2-[(2S)-4-(4-hydroxyphenyl)-2-methylpiperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;2-[6-indazol-1-yl-2-(4-pyridin-4-ylpiperazin-1-yl)purin-9-yl]acetic acid
CID 165093972
4-[4-(6-Amino-9-pyridin-4-ylpurin-2-yl)piperazin-1-yl]phenol;1-[9-(carboxymethyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]purin-6-yl]indazole-3-carboxylic acid;2-[2-[4-(4-hydroxyphenyl)-2-methylpiperazin-1-yl]-6-indazol-1-ylpurin-9-yl]acetic acid;1-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-indazol-1-ylpurin-9-yl]-3-methylsulfonylpropan-2-one;2-[6-indazol-1-yl-2-(4-pyridin-4-ylpiperazin-1-yl)purin-9-yl]acetic acid
CID 165102824

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid?
The IUPAC name of 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid (CID 159046995) is 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid.
What is the SMILES notation for 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid?
The canonical SMILES for 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid is CC(C)C(=O)O.CC(C)CC(=O)O.CC(C)CCC(=O)O.CC(C)Cc1ccccc1C(=O)O.CC(C)Cc1ccccc1O.CC(C)Cc1ccccc1OS(N)(=O)=O.CC(C)c1[nH]nc2ncccc12.CC(C)c1c[nH]c2ccccc12.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccccc1C(=O)CS(=O)(=O)C1CC1.CC(C)c1ccccc1C(=O)CS(=O)(=O)c1ccccc1.CC(C)c1ccccc1C(=O)CS(C)(=O)=O.CC(C)c1nccnc1C(=O)O.CC(C)c1nnc2ccc(NC(=O)N(C)C)cn12.CC(C)c1nnccc1C(=O)O.CNC(=O)Nc1ccc2nnc(C(C)C)n2c1.CNCc1ccc2nnc(C(C)C)n2c1.
What is the InChIKey of 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid?
The InChIKey is JWTYXNLKRBDTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3S.C14H18O3S.C12H17N5O.C12H16O3S.C11H15N5O.C11H16N4.C11H13N.C11H14O2.C10H15NO3S.C10H12O2.C10H14O.C9H11N3.2C8H10N2O2.C6H12O2.C5H10O2.C4H8O2/c1-13(2)15-10-6-7-11-16(15)17(18)12-21(19,20)14-8-4-3-5-9-14;1-10(2)12-5-3-4-6-13(12)14(15)9-18(16,17)11-7-8-11;1-8(2)11-15-14-10-6-5-9(7-17(10)11)13-12(18)16(3)4;1-9(2)10-6-4-5-7-11(10)12(13)8-16(3,14)15;1-7(2)10-15-14-9-5-4-8(6-16(9)10)13-11(17)12-3;1-8(2)11-14-13-10-5-4-9(6-12-3)7-15(10)11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)7-9-5-3-4-6-10(9)11(12)13;1-8(2)7-9-5-3-4-6-10(9)14-15(11,12)13;1-7(2)8-3-5-9(6-4-8)10(11)12;1-8(2)7-9-5-3-4-6-10(9)11;1-6(2)8-7-4-3-5-10-9(7)12-11-8;1-5(2)6-7(8(11)12)10-4-3-9-6;1-5(2)7-6(8(11)12)3-4-9-10-7;1-5(2)3-4-6(7)8;1-4(2)3-5(6)7;1-3(2)4(5)6/h3-11,13H,12H2,1-2H3;3-6,10-11H,7-9H2,1-2H3;5-8H,1-4H3,(H,13,18);4-7,9H,8H2,1-3H3;4-7H,1-3H3,(H2,12,13,17);4-5,7-8,12H,6H2,1-3H3;3-8,12H,1-2H3;3-6,8H,7H2,1-2H3,(H,12,13);3-6,8H,7H2,1-2H3,(H2,11,12,13);3-7H,1-2H3,(H,11,12);3-6,8,11H,7H2,1-2H3;3-6H,1-2H3,(H,10,11,12);2*3-5H,1-2H3,(H,11,12);5H,3-4H2,1-2H3,(H,7,8);4H,3H2,1-2H3,(H,6,7);3H,1-2H3,(H,5,6).
What are the key properties of 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid?
2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid has a molecular weight of 3175.09 g/mol, XLogP of 33.67, 44 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-1-(2-propan-2-ylphenyl)ethanone;2-cyclopropylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;3-methylbutanoic acid;4-methylpentanoic acid;2-methylpropanoic acid;N-methyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine;1-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea;2-(2-methylpropyl)benzoic acid;2-(2-methylpropyl)phenol;[2-(2-methylpropyl)phenyl] sulfamate;2-methylsulfonyl-1-(2-propan-2-ylphenyl)ethanone;4-propan-2-ylbenzoic acid;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazine-2-carboxylic acid;3-propan-2-yl-2H-pyrazolo[3,4-b]pyridine;3-propan-2-ylpyridazine-4-carboxylic acid is sourced from PubChem (CID 159046995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).