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

C170H210ClF3N16O9S2 — CID 157236250

IUPAC6-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
SMILESC/C(=C\C(C)C)c1ccccc1.CC(=O)Nc1cccc(/C=C/C(C)C)c1.CC(C)/C=C/c1cccc(S(C)(=O)=O)c1.CC(C)C(=O)Cc1cccc(C(F)(F)F)c1.CC(C)C(=O)Nc1cccc(-c2cnco2)c1.CC(C)c1cc2ccc(Cl)cc2n1C.CC(C)c1cc2ccccc2s1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc2c(c1)c(C1CC1)nn2C.CC(C)c1cnc2ccccc2c1.CC(C)c1cnn(-c2ccncc2)c1.CCOc1cccc(NC(=O)C(C)C)c1.COc1ccc2c(c1)cc(C(C)C)n2C.Cc1c(C(C)C)ccc2c1cnn2C
InChIInChI=1S/C13H17N3.C13H14N2O2.2C13H17NO.C12H14ClN.C12H13F3O.C12H16N2.C12H17NO2.C12H15N.C12H13N.C12H16O2S.C12H16.C11H13N3.C11H12S/c1-8(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;1-8(2)11-6-9-4-5-10(13)7-12(9)14(11)3;1-8(2)11(16)7-9-4-3-5-10(6-9)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)11-8-13(3)12-7-5-4-6-10(11)12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-10(2)7-8-11-5-4-6-12(9-11)15(3,13)14;1-10(2)9-11(3)12-7-5-4-6-8-12;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11/h6-9H,4-5H2,1-3H3;3-9H,1-2H3,(H,15,16);5-9H,1-4H3;4-10H,1-3H3,(H,14,15);4-8H,1-3H3;3-6,8H,7H2,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3,(H,13,14);4-9H,1-3H3;3-9H,1-2H3;4-10H,1-3H3;4-10H,1-3H3;3-9H,1-2H3;3-8H,1-2H3/b;;;8-7+;;;;;;;8-7+;11-9+;;
InChIKeyAURBWNGPQAEDGU-NEGOUUQNSA-N
MW2778.23 g/mol
LogP45.22
Rot. Bonds29

About 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

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 (PubChem CID 157236250) has the molecular formula C170H210ClF3N16O9S2 and a molecular weight of 2778.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID157236250
Molecular FormulaC170H210ClF3N16O9S2
Molecular Weight2778.23 g/mol
Exact Mass2775.55
IUPAC Name6-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
SMILESC/C(=C\C(C)C)c1ccccc1.CC(=O)Nc1cccc(/C=C/C(C)C)c1.CC(C)/C=C/c1cccc(S(C)(=O)=O)c1.CC(C)C(=O)Cc1cccc(C(F)(F)F)c1.CC(C)C(=O)Nc1cccc(-c2cnco2)c1.CC(C)c1cc2ccc(Cl)cc2n1C.CC(C)c1cc2ccccc2s1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc2c(c1)c(C1CC1)nn2C.CC(C)c1cnc2ccccc2c1.CC(C)c1cnn(-c2ccncc2)c1.CCOc1cccc(NC(=O)C(C)C)c1.COc1ccc2c(c1)cc(C(C)C)n2C.Cc1c(C(C)C)ccc2c1cnn2C
InChIInChI=1S/C13H17N3.C13H14N2O2.2C13H17NO.C12H14ClN.C12H13F3O.C12H16N2.C12H17NO2.C12H15N.C12H13N.C12H16O2S.C12H16.C11H13N3.C11H12S/c1-8(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;1-8(2)11-6-9-4-5-10(13)7-12(9)14(11)3;1-8(2)11(16)7-9-4-3-5-10(6-9)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)11-8-13(3)12-7-5-4-6-10(11)12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-10(2)7-8-11-5-4-6-12(9-11)15(3,13)14;1-10(2)9-11(3)12-7-5-4-6-8-12;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11/h6-9H,4-5H2,1-3H3;3-9H,1-2H3,(H,15,16);5-9H,1-4H3;4-10H,1-3H3,(H,14,15);4-8H,1-3H3;3-6,8H,7H2,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3,(H,13,14);4-9H,1-3H3;3-9H,1-2H3;4-10H,1-3H3;4-10H,1-3H3;3-9H,1-2H3;3-8H,1-2H3/b;;;8-7+;;;;;;;8-7+;11-9+;;
InChIKeyAURBWNGPQAEDGU-NEGOUUQNSA-N
XLogP45.22
TPSA289.92 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002778.23
LogP ≤ 545.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
N-[3-chloro-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]quinazolin-4-amine;(E)-4-(dimethylamino)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]but-2-enamide;6-(3-fluorophenyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-(4-methyl-1,3-oxazol-2-yl)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]propan-2-one;6-[5-[(2-methylsulfonylethylamino)methyl]thiophen-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]prop-2-enamide;N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]-6-(1H-pyrrol-3-yl)quinazolin-4-amine
CID 161058127

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C(=C\C(C)C)c1ccccc1.CC(=O)Nc1cccc(/C=C/C(C)C)c1.CC(C)/C=C/c1cccc(S(C)(=O)=O)c1.CC(C)C(=O)Cc1cccc(C(F)(F)F)c1.CC(C)C(=O)Nc1cccc(-c2cnco2)c1.CC(C)c1cc2ccc(Cl)cc2n1C.CC(C)c1cc2ccccc2s1.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc2c(c1)c(C1CC1)nn2C.CC(C)c1cnc2ccccc2c1.CC(C)c1cnn(-c2ccncc2)c1.CCOc1cccc(NC(=O)C(C)C)c1.COc1ccc2c(c1)cc(C(C)C)n2C.Cc1c(C(C)C)ccc2c1cnn2C.
What is the InChIKey of 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?
The InChIKey is AURBWNGPQAEDGU-NEGOUUQNSA-N. The full InChI is InChI=1S/C13H17N3.C13H14N2O2.2C13H17NO.C12H14ClN.C12H13F3O.C12H16N2.C12H17NO2.C12H15N.C12H13N.C12H16O2S.C12H16.C11H13N3.C11H12S/c1-8(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;1-8(2)11-6-9-4-5-10(13)7-12(9)14(11)3;1-8(2)11(16)7-9-4-3-5-10(6-9)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)11-8-13(3)12-7-5-4-6-10(11)12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-10(2)7-8-11-5-4-6-12(9-11)15(3,13)14;1-10(2)9-11(3)12-7-5-4-6-8-12;1-9(2)10-7-13-14(8-10)11-3-5-12-6-4-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11/h6-9H,4-5H2,1-3H3;3-9H,1-2H3,(H,15,16);5-9H,1-4H3;4-10H,1-3H3,(H,14,15);4-8H,1-3H3;3-6,8H,7H2,1-2H3;5-8H,1-4H3;5-9H,4H2,1-3H3,(H,13,14);4-9H,1-3H3;3-9H,1-2H3;4-10H,1-3H3;4-10H,1-3H3;3-9H,1-2H3;3-8H,1-2H3/b;;;8-7+;;;;;;;8-7+;11-9+;;.
What are the key properties of 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?
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 has a molecular weight of 2778.23 g/mol, XLogP of 45.22, 29 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157236250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).