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

C170H212Cl2F4N14O12S — CID 159957534

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;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
SMILESC/C(=C\C(C)C)c1ccccc1.CC(=O)Nc1cccc(/C=C/C(C)C)c1.CC(C)C(=O)Cc1cc(Cl)ccc1Cl.CC(C)C(=O)Cc1cccc(OC(F)(F)C(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.COc1ccc(C(C)C)cc1OC.COc1ccc2c(c1)cc(C(C)C)n2C.Cc1c(C(C)C)ccc2c1cnn2C
InChIInChI=1S/C13H14F4O2.C13H17N3.C13H14N2O2.2C13H17NO.C13H18O.C12H16N2.C12H17NO2.C12H13N.C12H16.C11H12Cl2O.C11H13N3.C11H16O2.C11H12S/c1-8(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;1-9(2)13-8-10-7-11(15-4)5-6-12(10)14(13)3;1-10(2)7-8-12-5-4-6-13(9-12)14-11(3)15;1-4-11-6-5-7-12(8-11)9-13(14)10(2)3;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)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/h3-6,8,12H,7H2,1-2H3;6-9H,4-5H2,1-3H3;3-9H,1-2H3,(H,15,16);5-9H,1-4H3;4-10H,1-3H3,(H,14,15);5-8,10H,4,9H2,1-3H3;5-8H,1-4H3;5-9H,4H2,1-3H3,(H,13,14);3-9H,1-2H3;4-10H,1-3H3;3-5,7H,6H2,1-2H3;3-9H,1-2H3;5-8H,1-4H3;3-8H,1-2H3/b;;;;8-7+;;;;;11-9+;;;;
InChIKeyOCXDTQUSQSLCMA-GBTZRRHMSA-N
MW2822.62 g/mol
LogP45.03
Rot. Bonds37

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;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

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 (PubChem CID 159957534) has the molecular formula C170H212Cl2F4N14O12S and a molecular weight of 2822.62 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;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.

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;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
PubChem CID159957534
Molecular FormulaC170H212Cl2F4N14O12S
Molecular Weight2822.62 g/mol
Exact Mass2819.54
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;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
SMILESC/C(=C\C(C)C)c1ccccc1.CC(=O)Nc1cccc(/C=C/C(C)C)c1.CC(C)C(=O)Cc1cc(Cl)ccc1Cl.CC(C)C(=O)Cc1cccc(OC(F)(F)C(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.COc1ccc(C(C)C)cc1OC.COc1ccc2c(c1)cc(C(C)C)n2C.Cc1c(C(C)C)ccc2c1cnn2C
InChIInChI=1S/C13H14F4O2.C13H17N3.C13H14N2O2.2C13H17NO.C13H18O.C12H16N2.C12H17NO2.C12H13N.C12H16.C11H12Cl2O.C11H13N3.C11H16O2.C11H12S/c1-8(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;1-9(2)13-8-10-7-11(15-4)5-6-12(10)14(13)3;1-10(2)7-8-12-5-4-6-13(9-12)14-11(3)15;1-4-11-6-5-7-12(8-11)9-13(14)10(2)3;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)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/h3-6,8,12H,7H2,1-2H3;6-9H,4-5H2,1-3H3;3-9H,1-2H3,(H,15,16);5-9H,1-4H3;4-10H,1-3H3,(H,14,15);5-8,10H,4,9H2,1-3H3;5-8H,1-4H3;5-9H,4H2,1-3H3,(H,13,14);3-9H,1-2H3;4-10H,1-3H3;3-5,7H,6H2,1-2H3;3-9H,1-2H3;5-8H,1-4H3;3-8H,1-2H3/b;;;;8-7+;;;;;11-9+;;;;
InChIKeyOCXDTQUSQSLCMA-GBTZRRHMSA-N
XLogP45.03
TPSA307.75 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds37
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002822.62
LogP ≤ 545.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

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;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 with MolForge

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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;(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

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;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?
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;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) 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;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.
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;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?
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;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 is C/C(=C\C(C)C)c1ccccc1.CC(=O)Nc1cccc(/C=C/C(C)C)c1.CC(C)C(=O)Cc1cc(Cl)ccc1Cl.CC(C)C(=O)Cc1cccc(OC(F)(F)C(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.COc1ccc(C(C)C)cc1OC.COc1ccc2c(c1)cc(C(C)C)n2C.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;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?
The InChIKey is OCXDTQUSQSLCMA-GBTZRRHMSA-N. The full InChI is InChI=1S/C13H14F4O2.C13H17N3.C13H14N2O2.2C13H17NO.C13H18O.C12H16N2.C12H17NO2.C12H13N.C12H16.C11H12Cl2O.C11H13N3.C11H16O2.C11H12S/c1-8(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;1-9(2)13-8-10-7-11(15-4)5-6-12(10)14(13)3;1-10(2)7-8-12-5-4-6-13(9-12)14-11(3)15;1-4-11-6-5-7-12(8-11)9-13(14)10(2)3;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)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/h3-6,8,12H,7H2,1-2H3;6-9H,4-5H2,1-3H3;3-9H,1-2H3,(H,15,16);5-9H,1-4H3;4-10H,1-3H3,(H,14,15);5-8,10H,4,9H2,1-3H3;5-8H,1-4H3;5-9H,4H2,1-3H3,(H,13,14);3-9H,1-2H3;4-10H,1-3H3;3-5,7H,6H2,1-2H3;3-9H,1-2H3;5-8H,1-4H3;3-8H,1-2H3/b;;;;8-7+;;;;;11-9+;;;;.
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;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?
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 has a molecular weight of 2822.62 g/mol, XLogP of 45.03, 37 rotatable bonds, 3 hydrogen bond donors, and 24 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;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 is sourced from PubChem (CID 159957534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).