5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol

C133H161BrF26N22O10S — CID 158331518

IUPAC5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol
SMILESCC(C)c1cn(C)c2ccc(Br)cc12.CC(C)c1cn(S(C)(=O)=O)c2ccc(F)cc12.CC(C)n1cc(C(F)(F)F)nc1CO.CC(C)n1cnc2ccccc21.CC(C)n1nc(C(=O)O)c2c1C1CCC2C1.CC(C)n1nc(C(F)(F)F)c2c1C(=O)CCC2(F)F.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)(F)F)c2c1C(O)CC2.CC(C)n1nc(C(F)(F)F)c2c1CCC(=O)C2.CC(C)n1nc(C(F)F)c2c1C(C)(F)CCC2F.CC(C)n1nc(C(F)F)c2c1C1CC(C1)C2=O.CC(C)n1nc(C=O)c2c1C1CCC2C1
InChIInChI=1S/C12H14BrN.C12H16F4N2.C12H14F2N2O.C12H14FNO2S.C12H16N2O2.C12H16N2O.C11H11F5N2O.C11H11F5N2.C11H13F3N2O.C10H13F3N2O.C10H12N2.C8H11F3N2O/c1-8(2)11-7-14(3)12-5-4-9(13)6-10(11)12;1-6(2)18-10-8(9(17-18)11(14)15)7(13)4-5-12(10,3)16;1-5(2)16-10-6-3-7(4-6)11(17)8(10)9(15-16)12(13)14;1-8(2)11-7-14(17(3,15)16)12-5-4-9(13)6-10(11)12;1-6(2)14-11-8-4-3-7(5-8)9(11)10(13-14)12(15)16;1-7(2)14-12-9-4-3-8(5-9)11(12)10(6-15)13-14;1-5(2)18-8-6(19)3-4-10(12,13)7(8)9(17-18)11(14,15)16;1-4(2)18-9-7(8(17-18)11(14,15)16)5-3-6(5)10(9,12)13;1-6(2)16-9-4-3-7(17)5-8(9)10(15-16)11(12,13)14;1-5(2)15-8-6(3-4-7(8)16)9(14-15)10(11,12)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-5(2)13-3-6(8(9,10)11)12-7(13)4-14/h4-8H,1-3H3;6-7,11H,4-5H2,1-3H3;5-7,12H,3-4H2,1-2H3;4-8H,1-3H3;6-8H,3-5H2,1-2H3,(H,15,16);6-9H,3-5H2,1-2H3;5H,3-4H2,1-2H3;4-6H,3H2,1-2H3;6H,3-5H2,1-2H3;5,7,16H,3-4H2,1-2H3;3-8H,1-2H3;3,5,14H,4H2,1-2H3
InChIKeyGQBLZYLVTUOGAN-UHFFFAOYSA-N
MW2833.81 g/mol
LogP36.26
Rot. Bonds18

About 5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol

5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol (PubChem CID 158331518) has the molecular formula C133H161BrF26N22O10S and a molecular weight of 2833.81 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol.

Molecular Properties

Compound Name5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol
PubChem CID158331518
Molecular FormulaC133H161BrF26N22O10S
Molecular Weight2833.81 g/mol
Exact Mass2831.13
IUPAC Name5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol
SMILESCC(C)c1cn(C)c2ccc(Br)cc12.CC(C)c1cn(S(C)(=O)=O)c2ccc(F)cc12.CC(C)n1cc(C(F)(F)F)nc1CO.CC(C)n1cnc2ccccc21.CC(C)n1nc(C(=O)O)c2c1C1CCC2C1.CC(C)n1nc(C(F)(F)F)c2c1C(=O)CCC2(F)F.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)(F)F)c2c1C(O)CC2.CC(C)n1nc(C(F)(F)F)c2c1CCC(=O)C2.CC(C)n1nc(C(F)F)c2c1C(C)(F)CCC2F.CC(C)n1nc(C(F)F)c2c1C1CC(C1)C2=O.CC(C)n1nc(C=O)c2c1C1CCC2C1
InChIInChI=1S/C12H14BrN.C12H16F4N2.C12H14F2N2O.C12H14FNO2S.C12H16N2O2.C12H16N2O.C11H11F5N2O.C11H11F5N2.C11H13F3N2O.C10H13F3N2O.C10H12N2.C8H11F3N2O/c1-8(2)11-7-14(3)12-5-4-9(13)6-10(11)12;1-6(2)18-10-8(9(17-18)11(14)15)7(13)4-5-12(10,3)16;1-5(2)16-10-6-3-7(4-6)11(17)8(10)9(15-16)12(13)14;1-8(2)11-7-14(17(3,15)16)12-5-4-9(13)6-10(11)12;1-6(2)14-11-8-4-3-7(5-8)9(11)10(13-14)12(15)16;1-7(2)14-12-9-4-3-8(5-9)11(12)10(6-15)13-14;1-5(2)18-8-6(19)3-4-10(12,13)7(8)9(17-18)11(14,15)16;1-4(2)18-9-7(8(17-18)11(14,15)16)5-3-6(5)10(9,12)13;1-6(2)16-9-4-3-7(17)5-8(9)10(15-16)11(12,13)14;1-5(2)15-8-6(3-4-7(8)16)9(14-15)10(11,12)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-5(2)13-3-6(8(9,10)11)12-7(13)4-14/h4-8H,1-3H3;6-7,11H,4-5H2,1-3H3;5-7,12H,3-4H2,1-2H3;4-8H,1-3H3;6-8H,3-5H2,1-2H3,(H,15,16);6-9H,3-5H2,1-2H3;5H,3-4H2,1-2H3;4-6H,3H2,1-2H3;6H,3-5H2,1-2H3;5,7,16H,3-4H2,1-2H3;3-8H,1-2H3;3,5,14H,4H2,1-2H3
InChIKeyGQBLZYLVTUOGAN-UHFFFAOYSA-N
XLogP36.26
TPSA368.24 Ų
H-Bond Donors3
H-Bond Acceptors31
Rotatable Bonds18
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002833.81
LogP ≤ 536.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol with MolForge

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Related Compounds

CID 157091199
CID 157091199
CID 158270493
CID 158270493
CID 158624791
CID 158624791
5-bromo-3-propan-2-yl-1H-indole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5,5-difluoro-7-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-2H-indazole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
CID 159854633
5-bromo-1-methyl-3-propan-2-ylindole;4-(cyclohexen-1-yl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole;9-(difluoromethyl)-5,5-difluoro-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-7-methylidene-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5-fluoro-5-methyl-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;3-propan-2-yl-1H-isoindole;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
CID 159920073
CID 160204979
CID 160204979
CID 161907495
CID 161907495

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol?
The IUPAC name of 5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol (CID 158331518) is 5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol.
What is the SMILES notation for 5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol?
The canonical SMILES for 5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol is CC(C)c1cn(C)c2ccc(Br)cc12.CC(C)c1cn(S(C)(=O)=O)c2ccc(F)cc12.CC(C)n1cc(C(F)(F)F)nc1CO.CC(C)n1cnc2ccccc21.CC(C)n1nc(C(=O)O)c2c1C1CCC2C1.CC(C)n1nc(C(F)(F)F)c2c1C(=O)CCC2(F)F.CC(C)n1nc(C(F)(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)(F)F)c2c1C(O)CC2.CC(C)n1nc(C(F)(F)F)c2c1CCC(=O)C2.CC(C)n1nc(C(F)F)c2c1C(C)(F)CCC2F.CC(C)n1nc(C(F)F)c2c1C1CC(C1)C2=O.CC(C)n1nc(C=O)c2c1C1CCC2C1.
What is the InChIKey of 5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol?
The InChIKey is GQBLZYLVTUOGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN.C12H16F4N2.C12H14F2N2O.C12H14FNO2S.C12H16N2O2.C12H16N2O.C11H11F5N2O.C11H11F5N2.C11H13F3N2O.C10H13F3N2O.C10H12N2.C8H11F3N2O/c1-8(2)11-7-14(3)12-5-4-9(13)6-10(11)12;1-6(2)18-10-8(9(17-18)11(14)15)7(13)4-5-12(10,3)16;1-5(2)16-10-6-3-7(4-6)11(17)8(10)9(15-16)12(13)14;1-8(2)11-7-14(17(3,15)16)12-5-4-9(13)6-10(11)12;1-6(2)14-11-8-4-3-7(5-8)9(11)10(13-14)12(15)16;1-7(2)14-12-9-4-3-8(5-9)11(12)10(6-15)13-14;1-5(2)18-8-6(19)3-4-10(12,13)7(8)9(17-18)11(14,15)16;1-4(2)18-9-7(8(17-18)11(14,15)16)5-3-6(5)10(9,12)13;1-6(2)16-9-4-3-7(17)5-8(9)10(15-16)11(12,13)14;1-5(2)15-8-6(3-4-7(8)16)9(14-15)10(11,12)13;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-5(2)13-3-6(8(9,10)11)12-7(13)4-14/h4-8H,1-3H3;6-7,11H,4-5H2,1-3H3;5-7,12H,3-4H2,1-2H3;4-8H,1-3H3;6-8H,3-5H2,1-2H3,(H,15,16);6-9H,3-5H2,1-2H3;5H,3-4H2,1-2H3;4-6H,3H2,1-2H3;6H,3-5H2,1-2H3;5,7,16H,3-4H2,1-2H3;3-8H,1-2H3;3,5,14H,4H2,1-2H3.
What are the key properties of 5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol?
5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol has a molecular weight of 2833.81 g/mol, XLogP of 36.26, 18 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-propan-2-ylindole;3-(difluoromethyl)-4,7-difluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazole;5-(difluoromethyl)-3-propan-2-yl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-7-one;5,5-difluoro-7-propan-2-yl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene;4,4-difluoro-1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;5-fluoro-1-methylsulfonyl-3-propan-2-ylindole;1-propan-2-ylbenzimidazole;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde;3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-ol;1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one;[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]methanol is sourced from PubChem (CID 158331518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).