3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline

C184H228Cl2F7N15O14S2 — CID 162261338

IUPAC3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline
SMILESC/C(=C\C(C)C)c1ccccc1.CC(C)/C=C/c1ccccc1S(C)(=O)=O.CC(C)C(=O)Cc1cc(Cl)ccc1Cl.CC(C)C(=O)Cc1cccc(OC(F)(F)C(F)F)c1.CC(C)C(=O)Cc1cccc(OC(F)(F)F)c1.CC(C)C(=O)Nc1cccc(-c2cnco2)c1.CC(C)c1cc2ccccc2s1.CC(C)c1cnc2c(c1)c(C1CC1)nn2C.CC(C)c1cnc2ccccc2c1.CC(C)c1cnn(-c2ccncc2)c1.CCOc1cccc(NC(=O)C(C)C)c1.CCc1cccc(CC(=O)C(C)C)c1.CCc1nn([C@@H](C)CC#N)c2ccc(C(C)C)cc12.COc1ccc(C(C)C)cc1OC.Cc1c(C(C)C)ccc2c1cnn2C
InChIInChI=1S/C16H21N3.C13H14F4O2.C13H17N3.C13H14N2O2.C13H18O.C12H13F3O2.C12H16N2.C12H17NO2.C12H13N.C12H16O2S.C12H16.C11H12Cl2O.C11H13N3.C11H16O2.C11H12S/c1-5-15-14-10-13(11(2)3)6-7-16(14)19(18-15)12(4)8-9-17;1-8(2)11(18)7-9-4-3-5-10(6-9)19-13(16,17)12(14)15;1-8(2)10-6-11-12(9-4-5-9)15-16(3)13(11)14-7-10;1-9(2)13(16)15-11-5-3-4-10(6-11)12-7-14-8-17-12;1-4-11-6-5-7-12(8-11)9-13(14)10(2)3;1-8(2)11(16)7-9-4-3-5-10(6-9)17-12(13,14)15;1-8(2)10-5-6-12-11(9(10)3)7-13-14(12)4;1-4-15-11-7-5-6-10(8-11)13-12(14)9(2)3;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-10(2)8-9-11-6-4-5-7-12(11)15(3,13)14;1-10(2)9-11(3)12-7-5-4-6-8-12;1-7(2)11(14)6-8-5-9(12)3-4-10(8)13;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-8(2)11-7-9-5-3-4-6-10(9)12-11/h6-7,10-12H,5,8H2,1-4H3;3-6,8,12H,7H2,1-2H3;6-9H,4-5H2,1-3H3;3-9H,1-2H3,(H,15,16);5-8,10H,4,9H2,1-3H3;3-6,8H,7H2,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3,(H,13,14);3-9H,1-2H3;4-10H,1-3H3;4-10H,1-3H3;3-5,7H,6H2,1-2H3;3-9H,1-2H3;5-8H,1-4H3;3-8H,1-2H3/b;;;;;;;;;9-8+;11-9+;;;;/t12-;;;;;;;;;;;;;;/m0............../s1
InChIKeyZZHHMVMKQSLASA-AISHDMSBSA-N
MW3141.96 g/mol
LogP48.71
Rot. Bonds43

About 3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline

3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline (PubChem CID 162261338) has the molecular formula C184H228Cl2F7N15O14S2 and a molecular weight of 3141.96 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline
PubChem CID162261338
Molecular FormulaC184H228Cl2F7N15O14S2
Molecular Weight3141.96 g/mol
Exact Mass3138.63
IUPAC Name3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline
SMILESC/C(=C\C(C)C)c1ccccc1.CC(C)/C=C/c1ccccc1S(C)(=O)=O.CC(C)C(=O)Cc1cc(Cl)ccc1Cl.CC(C)C(=O)Cc1cccc(OC(F)(F)C(F)F)c1.CC(C)C(=O)Cc1cccc(OC(F)(F)F)c1.CC(C)C(=O)Nc1cccc(-c2cnco2)c1.CC(C)c1cc2ccccc2s1.CC(C)c1cnc2c(c1)c(C1CC1)nn2C.CC(C)c1cnc2ccccc2c1.CC(C)c1cnn(-c2ccncc2)c1.CCOc1cccc(NC(=O)C(C)C)c1.CCc1cccc(CC(=O)C(C)C)c1.CCc1nn([C@@H](C)CC#N)c2ccc(C(C)C)cc12.COc1ccc(C(C)C)cc1OC.Cc1c(C(C)C)ccc2c1cnn2C
InChIInChI=1S/C16H21N3.C13H14F4O2.C13H17N3.C13H14N2O2.C13H18O.C12H13F3O2.C12H16N2.C12H17NO2.C12H13N.C12H16O2S.C12H16.C11H12Cl2O.C11H13N3.C11H16O2.C11H12S/c1-5-15-14-10-13(11(2)3)6-7-16(14)19(18-15)12(4)8-9-17;1-8(2)11(18)7-9-4-3-5-10(6-9)19-13(16,17)12(14)15;1-8(2)10-6-11-12(9-4-5-9)15-16(3)13(11)14-7-10;1-9(2)13(16)15-11-5-3-4-10(6-11)12-7-14-8-17-12;1-4-11-6-5-7-12(8-11)9-13(14)10(2)3;1-8(2)11(16)7-9-4-3-5-10(6-9)17-12(13,14)15;1-8(2)10-5-6-12-11(9(10)3)7-13-14(12)4;1-4-15-11-7-5-6-10(8-11)13-12(14)9(2)3;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-10(2)8-9-11-6-4-5-7-12(11)15(3,13)14;1-10(2)9-11(3)12-7-5-4-6-8-12;1-7(2)11(14)6-8-5-9(12)3-4-10(8)13;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-8(2)11-7-9-5-3-4-6-10(9)12-11/h6-7,10-12H,5,8H2,1-4H3;3-6,8,12H,7H2,1-2H3;6-9H,4-5H2,1-3H3;3-9H,1-2H3,(H,15,16);5-8,10H,4,9H2,1-3H3;3-6,8H,7H2,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3,(H,13,14);3-9H,1-2H3;4-10H,1-3H3;4-10H,1-3H3;3-5,7H,6H2,1-2H3;3-9H,1-2H3;5-8H,1-4H3;3-8H,1-2H3/b;;;;;;;;;9-8+;11-9+;;;;/t12-;;;;;;;;;;;;;;/m0............../s1
InChIKeyZZHHMVMKQSLASA-AISHDMSBSA-N
XLogP48.71
TPSA366.54 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds43
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003141.96
LogP ≤ 548.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;5-methoxy-1-methyl-2-propan-2-ylindole;1-[(E)-3-methylbut-1-enyl]-3-methylsulfonylbenzene;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;1-methyl-3-propan-2-ylindole;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline
CID 157236250
1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;5-methoxy-1-methyl-2-propan-2-ylindole;1-[(E)-3-methylbut-1-enyl]-3-methylsulfonylbenzene;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;1-methyl-3-propan-2-ylindole;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;3-propan-2-ylquinoline
CID 157716798
1-tert-butyl-4-propan-2-ylpyrazole;6-chloro-1-methyl-2-propan-2-ylindole;3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;N-(3-ethoxyphenyl)-2-methylpropanamide;1-methoxy-4-[(E)-3-methylbut-1-enyl]benzene;5-methoxy-1-methyl-2-propan-2-ylindole;1-[(E)-3-methylbut-1-enyl]-3-methylsulfonylbenzene;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;1-methyl-2-[(E)-3-methylbut-1-enyl]benzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-phenylphenyl)propanamide;2-methyl-6-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;3-methyl-1-(3-propan-2-yloxyphenyl)butan-2-one;3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene
CID 158898352
3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;5-methoxy-1-methyl-2-propan-2-ylindole;N-[3-[(E)-3-methylbut-1-enyl]phenyl]acetamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline
CID 159957534

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline?
The IUPAC name of 3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline (CID 162261338) is 3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline.
What is the SMILES notation for 3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline?
The canonical SMILES for 3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline is C/C(=C\C(C)C)c1ccccc1.CC(C)/C=C/c1ccccc1S(C)(=O)=O.CC(C)C(=O)Cc1cc(Cl)ccc1Cl.CC(C)C(=O)Cc1cccc(OC(F)(F)C(F)F)c1.CC(C)C(=O)Cc1cccc(OC(F)(F)F)c1.CC(C)C(=O)Nc1cccc(-c2cnco2)c1.CC(C)c1cc2ccccc2s1.CC(C)c1cnc2c(c1)c(C1CC1)nn2C.CC(C)c1cnc2ccccc2c1.CC(C)c1cnn(-c2ccncc2)c1.CCOc1cccc(NC(=O)C(C)C)c1.CCc1cccc(CC(=O)C(C)C)c1.CCc1nn([C@@H](C)CC#N)c2ccc(C(C)C)cc12.COc1ccc(C(C)C)cc1OC.Cc1c(C(C)C)ccc2c1cnn2C.
What is the InChIKey of 3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline?
The InChIKey is ZZHHMVMKQSLASA-AISHDMSBSA-N. The full InChI is InChI=1S/C16H21N3.C13H14F4O2.C13H17N3.C13H14N2O2.C13H18O.C12H13F3O2.C12H16N2.C12H17NO2.C12H13N.C12H16O2S.C12H16.C11H12Cl2O.C11H13N3.C11H16O2.C11H12S/c1-5-15-14-10-13(11(2)3)6-7-16(14)19(18-15)12(4)8-9-17;1-8(2)11(18)7-9-4-3-5-10(6-9)19-13(16,17)12(14)15;1-8(2)10-6-11-12(9-4-5-9)15-16(3)13(11)14-7-10;1-9(2)13(16)15-11-5-3-4-10(6-11)12-7-14-8-17-12;1-4-11-6-5-7-12(8-11)9-13(14)10(2)3;1-8(2)11(16)7-9-4-3-5-10(6-9)17-12(13,14)15;1-8(2)10-5-6-12-11(9(10)3)7-13-14(12)4;1-4-15-11-7-5-6-10(8-11)13-12(14)9(2)3;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-10(2)8-9-11-6-4-5-7-12(11)15(3,13)14;1-10(2)9-11(3)12-7-5-4-6-8-12;1-7(2)11(14)6-8-5-9(12)3-4-10(8)13;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;1-8(2)9-5-6-10(12-3)11(7-9)13-4;1-8(2)11-7-9-5-3-4-6-10(9)12-11/h6-7,10-12H,5,8H2,1-4H3;3-6,8,12H,7H2,1-2H3;6-9H,4-5H2,1-3H3;3-9H,1-2H3,(H,15,16);5-8,10H,4,9H2,1-3H3;3-6,8H,7H2,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3,(H,13,14);3-9H,1-2H3;4-10H,1-3H3;4-10H,1-3H3;3-5,7H,6H2,1-2H3;3-9H,1-2H3;5-8H,1-4H3;3-8H,1-2H3/b;;;;;;;;;9-8+;11-9+;;;;/t12-;;;;;;;;;;;;;;/m0............../s1.
What are the key properties of 3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline?
3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline has a molecular weight of 3141.96 g/mol, XLogP of 48.71, 43 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-(2,5-dichlorophenyl)-3-methylbutan-2-one;1,2-dimethoxy-4-propan-2-ylbenzene;1,4-dimethyl-5-propan-2-ylindazole;N-(3-ethoxyphenyl)-2-methylpropanamide;1-(3-ethylphenyl)-3-methylbutan-2-one;(3S)-3-(3-ethyl-5-propan-2-ylindazol-1-yl)butanenitrile;1-[(E)-3-methylbut-1-enyl]-2-methylsulfonylbenzene;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;[(E)-4-methylpent-2-en-2-yl]benzene;3-methyl-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-one;3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-one;2-propan-2-yl-1-benzothiophene;4-(4-propan-2-ylpyrazol-1-yl)pyridine;3-propan-2-ylquinoline is sourced from PubChem (CID 162261338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).