6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole

C212H272Cl2F10N30O8 — CID 160756518

IUPAC6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
SMILESC=C1N(C2=CCCCC2)c2ccccc2N1C(C)C.CC(C)c1c[nH]c2cc(CN)ccc12.CC(C)c1c[nH]c2ccc(N)cc12.CC(C)c1ccccn1.CC(C)n1c(CN2CCOCC2)nc2ccccc21.CC(C)n1c2c(c3ccccc31)C(=O)CCC2.CC(C)n1c2c(c3ccccc31)CCCC2.CC(C)n1cc(C(F)(F)F)cn1.CC(C)n1ccc2cc(Cl)ccc21.CC(C)n1ccc2cc(F)c(Cl)cc21.CC(C)n1nc(C(C)(F)F)c2c1C(=O)C1CC21.CC(C)n1ncc2ccc(O)cc21.CC(F)c1nn(C(C)C)c(C(F)F)c1C1CC1.COC1CN(C(=O)Cc2c(C)n(C(C)C)c3ccccc23)C1.COC1CN(C(=O)c2cc(C(C)C)n(C(C)C)n2)C1.Cc1cc2cc(F)ccc2n1C(C)C.Cc1cc2cn(C(C)C)nc2cc1C
InChIInChI=1S/C18H24N2O2.C17H22N2.C15H21N3O.C15H17NO.C15H19N.C14H23N3O2.C12H17F3N2.C12H14F2N2O.C12H14FN.2C12H16N2.C11H11ClFN.C11H12ClN.C11H14N2.C10H12N2O.C8H11N.C7H9F3N2/c1-12(2)20-13(3)16(15-7-5-6-8-17(15)20)9-18(21)19-10-14(11-19)22-4;1-13(2)18-14(3)19(15-9-5-4-6-10-15)17-12-8-7-11-16(17)18;1-12(2)18-14-6-4-3-5-13(14)16-15(18)11-17-7-9-19-10-8-17;1-10(2)16-12-7-4-3-6-11(12)15-13(16)8-5-9-14(15)17;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-9(2)13-6-12(15-17(13)10(3)4)14(18)16-7-11(8-16)19-5;1-6(2)17-11(12(14)15)9(8-4-5-8)10(16-17)7(3)13;1-5(2)16-9-8(6-4-7(6)10(9)17)11(15-16)12(3,13)14;1-8(2)14-9(3)6-10-7-11(13)4-5-12(10)14;1-8(2)14-7-11-5-9(3)10(4)6-12(11)13-14;1-8(2)11-7-14-12-5-9(6-13)3-4-10(11)12;1-7(2)14-4-3-8-5-10(13)9(12)6-11(8)14;1-8(2)13-6-5-9-7-10(12)3-4-11(9)13;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)12-10-5-9(13)4-3-8(10)6-11-12;1-7(2)8-5-3-4-6-9-8;1-5(2)12-4-6(3-11-12)7(8,9)10/h5-8,12,14H,9-11H2,1-4H3;7-9,11-13H,3-6,10H2,1-2H3;3-6,12H,7-11H2,1-2H3;3-4,6-7,10H,5,8-9H2,1-2H3;3,5,7,9,11H,4,6,8,10H2,1-2H3;6,9-11H,7-8H2,1-5H3;6-8,12H,4-5H2,1-3H3;5-7H,4H2,1-3H3;4-8H,1-3H3;5-8H,1-4H3;3-5,7-8,14H,6,13H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3-7,13H,12H2,1-2H3;3-7,13H,1-2H3;3-7H,1-2H3;3-5H,1-2H3
InChIKeyRXMSJZCQCIYCCX-UHFFFAOYSA-N
MW3629.60 g/mol
LogP54.54
Rot. Bonds31

About 6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole

6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole (PubChem CID 160756518) has the molecular formula C212H272Cl2F10N30O8 and a molecular weight of 3629.60 g/mol. Its IUPAC name is 6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
PubChem CID160756518
Molecular FormulaC212H272Cl2F10N30O8
Molecular Weight3629.60 g/mol
Exact Mass3626.10
IUPAC Name6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
SMILESC=C1N(C2=CCCCC2)c2ccccc2N1C(C)C.CC(C)c1c[nH]c2cc(CN)ccc12.CC(C)c1c[nH]c2ccc(N)cc12.CC(C)c1ccccn1.CC(C)n1c(CN2CCOCC2)nc2ccccc21.CC(C)n1c2c(c3ccccc31)C(=O)CCC2.CC(C)n1c2c(c3ccccc31)CCCC2.CC(C)n1cc(C(F)(F)F)cn1.CC(C)n1ccc2cc(Cl)ccc21.CC(C)n1ccc2cc(F)c(Cl)cc21.CC(C)n1nc(C(C)(F)F)c2c1C(=O)C1CC21.CC(C)n1ncc2ccc(O)cc21.CC(F)c1nn(C(C)C)c(C(F)F)c1C1CC1.COC1CN(C(=O)Cc2c(C)n(C(C)C)c3ccccc23)C1.COC1CN(C(=O)c2cc(C(C)C)n(C(C)C)n2)C1.Cc1cc2cc(F)ccc2n1C(C)C.Cc1cc2cn(C(C)C)nc2cc1C
InChIInChI=1S/C18H24N2O2.C17H22N2.C15H21N3O.C15H17NO.C15H19N.C14H23N3O2.C12H17F3N2.C12H14F2N2O.C12H14FN.2C12H16N2.C11H11ClFN.C11H12ClN.C11H14N2.C10H12N2O.C8H11N.C7H9F3N2/c1-12(2)20-13(3)16(15-7-5-6-8-17(15)20)9-18(21)19-10-14(11-19)22-4;1-13(2)18-14(3)19(15-9-5-4-6-10-15)17-12-8-7-11-16(17)18;1-12(2)18-14-6-4-3-5-13(14)16-15(18)11-17-7-9-19-10-8-17;1-10(2)16-12-7-4-3-6-11(12)15-13(16)8-5-9-14(15)17;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-9(2)13-6-12(15-17(13)10(3)4)14(18)16-7-11(8-16)19-5;1-6(2)17-11(12(14)15)9(8-4-5-8)10(16-17)7(3)13;1-5(2)16-9-8(6-4-7(6)10(9)17)11(15-16)12(3,13)14;1-8(2)14-9(3)6-10-7-11(13)4-5-12(10)14;1-8(2)14-7-11-5-9(3)10(4)6-12(11)13-14;1-8(2)11-7-14-12-5-9(6-13)3-4-10(11)12;1-7(2)14-4-3-8-5-10(13)9(12)6-11(8)14;1-8(2)13-6-5-9-7-10(12)3-4-11(9)13;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)12-10-5-9(13)4-3-8(10)6-11-12;1-7(2)8-5-3-4-6-9-8;1-5(2)12-4-6(3-11-12)7(8,9)10/h5-8,12,14H,9-11H2,1-4H3;7-9,11-13H,3-6,10H2,1-2H3;3-6,12H,7-11H2,1-2H3;3-4,6-7,10H,5,8-9H2,1-2H3;3,5,7,9,11H,4,6,8,10H2,1-2H3;6,9-11H,7-8H2,1-5H3;6-8,12H,4-5H2,1-3H3;5-7H,4H2,1-3H3;4-8H,1-3H3;5-8H,1-4H3;3-5,7-8,14H,6,13H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3-7,13H,12H2,1-2H3;3-7,13H,1-2H3;3-7H,1-2H3;3-5H,1-2H3
InChIKeyRXMSJZCQCIYCCX-UHFFFAOYSA-N
XLogP54.54
TPSA383.23 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms262
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003629.60
LogP ≤ 554.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?
The IUPAC name of 6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole (CID 160756518) is 6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole is C=C1N(C2=CCCCC2)c2ccccc2N1C(C)C.CC(C)c1c[nH]c2cc(CN)ccc12.CC(C)c1c[nH]c2ccc(N)cc12.CC(C)c1ccccn1.CC(C)n1c(CN2CCOCC2)nc2ccccc21.CC(C)n1c2c(c3ccccc31)C(=O)CCC2.CC(C)n1c2c(c3ccccc31)CCCC2.CC(C)n1cc(C(F)(F)F)cn1.CC(C)n1ccc2cc(Cl)ccc21.CC(C)n1ccc2cc(F)c(Cl)cc21.CC(C)n1nc(C(C)(F)F)c2c1C(=O)C1CC21.CC(C)n1ncc2ccc(O)cc21.CC(F)c1nn(C(C)C)c(C(F)F)c1C1CC1.COC1CN(C(=O)Cc2c(C)n(C(C)C)c3ccccc23)C1.COC1CN(C(=O)c2cc(C(C)C)n(C(C)C)n2)C1.Cc1cc2cc(F)ccc2n1C(C)C.Cc1cc2cn(C(C)C)nc2cc1C.
What is the InChIKey of 6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?
The InChIKey is RXMSJZCQCIYCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2.C17H22N2.C15H21N3O.C15H17NO.C15H19N.C14H23N3O2.C12H17F3N2.C12H14F2N2O.C12H14FN.2C12H16N2.C11H11ClFN.C11H12ClN.C11H14N2.C10H12N2O.C8H11N.C7H9F3N2/c1-12(2)20-13(3)16(15-7-5-6-8-17(15)20)9-18(21)19-10-14(11-19)22-4;1-13(2)18-14(3)19(15-9-5-4-6-10-15)17-12-8-7-11-16(17)18;1-12(2)18-14-6-4-3-5-13(14)16-15(18)11-17-7-9-19-10-8-17;1-10(2)16-12-7-4-3-6-11(12)15-13(16)8-5-9-14(15)17;1-11(2)16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;1-9(2)13-6-12(15-17(13)10(3)4)14(18)16-7-11(8-16)19-5;1-6(2)17-11(12(14)15)9(8-4-5-8)10(16-17)7(3)13;1-5(2)16-9-8(6-4-7(6)10(9)17)11(15-16)12(3,13)14;1-8(2)14-9(3)6-10-7-11(13)4-5-12(10)14;1-8(2)14-7-11-5-9(3)10(4)6-12(11)13-14;1-8(2)11-7-14-12-5-9(6-13)3-4-10(11)12;1-7(2)14-4-3-8-5-10(13)9(12)6-11(8)14;1-8(2)13-6-5-9-7-10(12)3-4-11(9)13;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)12-10-5-9(13)4-3-8(10)6-11-12;1-7(2)8-5-3-4-6-9-8;1-5(2)12-4-6(3-11-12)7(8,9)10/h5-8,12,14H,9-11H2,1-4H3;7-9,11-13H,3-6,10H2,1-2H3;3-6,12H,7-11H2,1-2H3;3-4,6-7,10H,5,8-9H2,1-2H3;3,5,7,9,11H,4,6,8,10H2,1-2H3;6,9-11H,7-8H2,1-5H3;6-8,12H,4-5H2,1-3H3;5-7H,4H2,1-3H3;4-8H,1-3H3;5-8H,1-4H3;3-5,7-8,14H,6,13H2,1-2H3;3-7H,1-2H3;3-8H,1-2H3;3-7,13H,12H2,1-2H3;3-7,13H,1-2H3;3-7H,1-2H3;3-5H,1-2H3.
What are the key properties of 6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?
6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole has a molecular weight of 3629.60 g/mol, XLogP of 54.54, 31 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;1-(cyclohexen-1-yl)-2-methylidene-3-propan-2-ylbenzimidazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one;5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;9-propan-2-yl-2,3-dihydro-1H-carbazol-4-one;1-propan-2-ylindazol-6-ol;3-propan-2-yl-1H-indol-5-amine;(3-propan-2-yl-1H-indol-6-yl)methanamine;2-propan-2-ylpyridine;9-propan-2-yl-1,2,3,4-tetrahydrocarbazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 160756518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).