tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole

C166H217ClF10N18O9 — CID 157366807

IUPACtert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole
SMILESCC(=O)c1c(C)n(C(C)C)c2ccccc12.CC(=O)c1cn(C(C)C)c2ccccc12.CC(C)c1cn(C)c2cc(CNC(=O)OC(C)(C)C)ccc12.CC(C)c1cn(C)c2ccc(CN)cc12.CC(C)n1ccc2ccc(Cl)cc21.CC(C)n1nc(C(C)(F)F)c2c1CCC2=O.CC(F)c1nn(C(C)C)c2c1C(F)(F)CCC2(F)F.CC1=Cc2ccccc2C1C(C)C.COc1ccc(C(C)C)c(OC)c1.Cc1c(C(C)F)nn(C(C)C)c1C(F)F.Cc1cc2ccn(C(C)C)c2cc1C.Cc1cc2cnn(C(C)C)c2cc1C.Cc1cn(C)c2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C18H26N2O2.C15H20N2O2.C14H17NO.C13H18N2.C13H15NO.C13H17N.C13H16.C12H15F5N2.C12H16N2.C11H12ClN.C11H14F2N2O.C11H16O2.C10H15F3N2/c1-12(2)15-11-20(6)16-9-13(7-8-14(15)16)10-19-17(21)22-18(3,4)5;1-10-9-17(5)13-7-6-11(8-12(10)13)16-14(18)19-15(2,3)4;1-9(2)15-10(3)14(11(4)16)12-7-5-6-8-13(12)15;1-9(2)12-8-15(3)13-5-4-10(7-14)6-11(12)13;1-9(2)14-8-12(10(3)15)11-6-4-5-7-13(11)14;1-9(2)14-6-5-12-7-10(3)11(4)8-13(12)14;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-6(2)19-10-8(9(18-19)7(3)13)11(14,15)4-5-12(10,16)17;1-8(2)14-12-6-10(4)9(3)5-11(12)7-13-14;1-8(2)13-6-5-9-3-4-10(12)7-11(9)13;1-6(2)15-7-4-5-8(16)9(7)10(14-15)11(3,12)13;1-8(2)10-6-5-9(12-3)7-11(10)13-4;1-5(2)15-9(10(12)13)6(3)8(14-15)7(4)11/h7-9,11-12H,10H2,1-6H3,(H,19,21);6-9H,1-5H3,(H,16,18);5-9H,1-4H3;4-6,8-9H,7,14H2,1-3H3;4-9H,1-3H3;5-9H,1-4H3;4-9,13H,1-3H3;6-7H,4-5H2,1-3H3;5-8H,1-4H3;3-8H,1-2H3;6H,4-5H2,1-3H3;5-8H,1-4H3;5,7,10H,1-4H3
InChIKeyBJGZUNDZVDCAPA-UHFFFAOYSA-N
MW2834.11 g/mol
LogP46.61
Rot. Bonds24

About tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole

tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole (PubChem CID 157366807) has the molecular formula C166H217ClF10N18O9 and a molecular weight of 2834.11 g/mol. Its IUPAC name is tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole.

Molecular Properties

Compound Nametert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole
PubChem CID157366807
Molecular FormulaC166H217ClF10N18O9
Molecular Weight2834.11 g/mol
Exact Mass2831.66
IUPAC Nametert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole
SMILESCC(=O)c1c(C)n(C(C)C)c2ccccc12.CC(=O)c1cn(C(C)C)c2ccccc12.CC(C)c1cn(C)c2cc(CNC(=O)OC(C)(C)C)ccc12.CC(C)c1cn(C)c2ccc(CN)cc12.CC(C)n1ccc2ccc(Cl)cc21.CC(C)n1nc(C(C)(F)F)c2c1CCC2=O.CC(F)c1nn(C(C)C)c2c1C(F)(F)CCC2(F)F.CC1=Cc2ccccc2C1C(C)C.COc1ccc(C(C)C)c(OC)c1.Cc1c(C(C)F)nn(C(C)C)c1C(F)F.Cc1cc2ccn(C(C)C)c2cc1C.Cc1cc2cnn(C(C)C)c2cc1C.Cc1cn(C)c2ccc(NC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C18H26N2O2.C15H20N2O2.C14H17NO.C13H18N2.C13H15NO.C13H17N.C13H16.C12H15F5N2.C12H16N2.C11H12ClN.C11H14F2N2O.C11H16O2.C10H15F3N2/c1-12(2)15-11-20(6)16-9-13(7-8-14(15)16)10-19-17(21)22-18(3,4)5;1-10-9-17(5)13-7-6-11(8-12(10)13)16-14(18)19-15(2,3)4;1-9(2)15-10(3)14(11(4)16)12-7-5-6-8-13(12)15;1-9(2)12-8-15(3)13-5-4-10(7-14)6-11(12)13;1-9(2)14-8-12(10(3)15)11-6-4-5-7-13(11)14;1-9(2)14-6-5-12-7-10(3)11(4)8-13(12)14;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-6(2)19-10-8(9(18-19)7(3)13)11(14,15)4-5-12(10,16)17;1-8(2)14-12-6-10(4)9(3)5-11(12)7-13-14;1-8(2)13-6-5-9-3-4-10(12)7-11(9)13;1-6(2)15-7-4-5-8(16)9(7)10(14-15)11(3,12)13;1-8(2)10-6-5-9(12-3)7-11(10)13-4;1-5(2)15-9(10(12)13)6(3)8(14-15)7(4)11/h7-9,11-12H,10H2,1-6H3,(H,19,21);6-9H,1-5H3,(H,16,18);5-9H,1-4H3;4-6,8-9H,7,14H2,1-3H3;4-9H,1-3H3;5-9H,1-4H3;4-9,13H,1-3H3;6-7H,4-5H2,1-3H3;5-8H,1-4H3;3-8H,1-2H3;6H,4-5H2,1-3H3;5-8H,1-4H3;5,7,10H,1-4H3
InChIKeyBJGZUNDZVDCAPA-UHFFFAOYSA-N
XLogP46.61
TPSA278.14 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002834.11
LogP ≤ 546.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole with MolForge

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Related Compounds

tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propan-2-yl-5,6-dihydroindazole;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one
CID 159080950
tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;7-ethyl-1-propan-2-yl-3-prop-1-en-2-ylindole;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 159487881
tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;6-chloro-1-propan-2-ylindole;N-cyclopropyl-1,5-di(propan-2-yl)pyrazole-3-carboxamide;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;1,4-dimethyl-3-propan-2-ylindole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole
CID 159618719
tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;1-chloro-3-propan-2-ylbenzene;6-chloro-1-propan-2-ylindole;5-cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-(7-ethyl-1-propan-2-ylindol-3-yl)ethanone;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-ylpyrrolo[3,2-c]pyridine;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 162082559
3,5-bis(difluoromethyl)-4-methyl-1-propan-2-ylpyrazole;tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(3-propan-2-yl-1H-indol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindole;1-fluoro-4-propan-2-ylbenzene;2-methyl-3-propan-2-yl-1H-indene;1-(1-propan-2-ylindol-3-yl)ethanone;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-4-one;1-propan-2-yl-3-(trifluoromethyl)pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
CID 162243501

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole?
The IUPAC name of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole (CID 157366807) is tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole.
What is the SMILES notation for tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole?
The canonical SMILES for tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole is CC(=O)c1c(C)n(C(C)C)c2ccccc12.CC(=O)c1cn(C(C)C)c2ccccc12.CC(C)c1cn(C)c2cc(CNC(=O)OC(C)(C)C)ccc12.CC(C)c1cn(C)c2ccc(CN)cc12.CC(C)n1ccc2ccc(Cl)cc21.CC(C)n1nc(C(C)(F)F)c2c1CCC2=O.CC(F)c1nn(C(C)C)c2c1C(F)(F)CCC2(F)F.CC1=Cc2ccccc2C1C(C)C.COc1ccc(C(C)C)c(OC)c1.Cc1c(C(C)F)nn(C(C)C)c1C(F)F.Cc1cc2ccn(C(C)C)c2cc1C.Cc1cc2cnn(C(C)C)c2cc1C.Cc1cn(C)c2ccc(NC(=O)OC(C)(C)C)cc12.
What is the InChIKey of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole?
The InChIKey is BJGZUNDZVDCAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.C15H20N2O2.C14H17NO.C13H18N2.C13H15NO.C13H17N.C13H16.C12H15F5N2.C12H16N2.C11H12ClN.C11H14F2N2O.C11H16O2.C10H15F3N2/c1-12(2)15-11-20(6)16-9-13(7-8-14(15)16)10-19-17(21)22-18(3,4)5;1-10-9-17(5)13-7-6-11(8-12(10)13)16-14(18)19-15(2,3)4;1-9(2)15-10(3)14(11(4)16)12-7-5-6-8-13(12)15;1-9(2)12-8-15(3)13-5-4-10(7-14)6-11(12)13;1-9(2)14-8-12(10(3)15)11-6-4-5-7-13(11)14;1-9(2)14-6-5-12-7-10(3)11(4)8-13(12)14;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-6(2)19-10-8(9(18-19)7(3)13)11(14,15)4-5-12(10,16)17;1-8(2)14-12-6-10(4)9(3)5-11(12)7-13-14;1-8(2)13-6-5-9-3-4-10(12)7-11(9)13;1-6(2)15-7-4-5-8(16)9(7)10(14-15)11(3,12)13;1-8(2)10-6-5-9(12-3)7-11(10)13-4;1-5(2)15-9(10(12)13)6(3)8(14-15)7(4)11/h7-9,11-12H,10H2,1-6H3,(H,19,21);6-9H,1-5H3,(H,16,18);5-9H,1-4H3;4-6,8-9H,7,14H2,1-3H3;4-9H,1-3H3;5-9H,1-4H3;4-9,13H,1-3H3;6-7H,4-5H2,1-3H3;5-8H,1-4H3;3-8H,1-2H3;6H,4-5H2,1-3H3;5-8H,1-4H3;5,7,10H,1-4H3.
What are the key properties of tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole?
tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole has a molecular weight of 2834.11 g/mol, XLogP of 46.61, 24 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-dimethylindol-5-yl)carbamate;tert-butyl N-[(1-methyl-3-propan-2-ylindol-6-yl)methyl]carbamate;6-chloro-1-propan-2-ylindole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydrocyclopenta[c]pyrazol-4-one;5-(difluoromethyl)-3-(1-fluoroethyl)-4-methyl-1-propan-2-ylpyrazole;2,4-dimethoxy-1-propan-2-ylbenzene;5,6-dimethyl-1-propan-2-ylindazole;5,6-dimethyl-1-propan-2-ylindole;2-methyl-1-propan-2-yl-1H-indene;1-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-5-yl)methanamine;1-(1-propan-2-ylindol-3-yl)ethanone;4,4,7,7-tetrafluoro-3-(1-fluoroethyl)-1-propan-2-yl-5,6-dihydroindazole is sourced from PubChem (CID 157366807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).