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;methyl 2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-propan-2-ylbenzimidazole;bis(3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde);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

C₁₇₈H₂₂₁BrF₂₈N₃₀O₁₄S — CID 158624791

About 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;methyl 2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-propan-2-ylbenzimidazole;bis(3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde);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

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;methyl 2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-propan-2-ylbenzimidazole;bis(3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde);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 (PubChem CID 158624791) has the molecular formula C₁₇₈H₂₂₁BrF₂₈N₃₀O₁₄S and a molecular weight of 3648.84 g/mol. Its IUPAC name is 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;methyl 2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-propan-2-ylbenzimidazole;bis(3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde);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.

Molecular Properties

• Compound Name: 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;methyl 2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-propan-2-ylbenzimidazole;bis(3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde);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
• PubChem CID: 158624791
• Molecular Formula: C₁₇₈H₂₂₁BrF₂₈N₃₀O₁₄S
• Molecular Weight: 3648.84 g/mol
• Exact Mass: 3645.60
• IUPAC Name: 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;methyl 2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-propan-2-ylbenzimidazole;bis(3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde);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
• SMILES: C=C1CCC(F)(F)c2c(C(F)(F)F)nn(C(C)C)c21.CC(C)c1[nH]nc2ccccc12.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)n1cc(C2=CCCCC2)c(C(F)(F)F)n1.CC(C)n1cnc2ccccc21.CC(C)n1nc(C(F)(F)F)c2c1C(C)(F)C1CC21.CC(C)n1nc(C(F)(F)F)c2c1CCC(=O)C2.CC(C)n1nc(C(F)(F)F)c2c1CCC(O)C2.CC(C)n1nc(C(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)F)c2c1C1CC(C1)C2=O.CC(C)n1nc(C=O)c2c1C1CCC2C1.CC(C)n1nc(C=O)c2c1C1CCC2C1.COC(=O)c1c2c(nn1C(C)C)COC2.COC(=O)c1nn(C(C)C)c2c1COC2
• InChI: InChI=1S/C13H17F3N2.C12H14BrN.C12H13F5N2.C12H14F4N2.C12H14F2N2O.C12H14FNO2S.2C12H16N2O.C11H12F4N2.C11H15F3N2O.C11H13F3N2O.2C10H14N2O3.2C10H12N2.C8H11F3N2O/c1-9(2)18-8-11(10-6-4-3-5-7-10)12(17-18)13(14,15)16;1-8(2)11-7-14(3)12-5-4-9(13)6-10(11)12;1-6(2)19-9-7(3)4-5-11(13,14)8(9)10(18-19)12(15,16)17;1-5(2)18-10-8(9(17-18)12(14,15)16)6-4-7(6)11(10,3)13;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;2*1-7(2)14-12-9-4-3-8(5-9)11(12)10(6-15)13-14;1-4(2)17-9-7(8(16-17)10(12)13)5-3-6(5)11(9,14)15;2*1-6(2)16-9-4-3-7(17)5-8(9)10(15-16)11(12,13)14;1-6(2)12-8-5-15-4-7(8)9(11-12)10(13)14-3;1-6(2)12-9(10(13)14-3)7-4-15-5-8(7)11-12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-5(2)13-3-6(8(9,10)11)12-7(13)4-14/h6,8-9H,3-5,7H2,1-2H3;4-8H,1-3H3;6H,3-5H2,1-2H3;5-7H,4H2,1-3H3;5-7,12H,3-4H2,1-2H3;4-8H,1-3H3;2*6-9H,3-5H2,1-2H3;4-6,10H,3H2,1-2H3;6-7,17H,3-5H2,1-2H3;6H,3-5H2,1-2H3;2*6H,4-5H2,1-3H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3,5,14H,4H2,1-2H3
• InChIKey: HYLKRJVQMXCBLK-UHFFFAOYSA-N
• XLogP: 46.08
• TPSA: 484.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 43
• Rotatable Bonds: 25
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3648.84
LogP ≤ 5	46.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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;methyl 2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-propan-2-ylbenzimidazole;bis(3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde);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?

The IUPAC name of 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;methyl 2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-propan-2-ylbenzimidazole;bis(3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde);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 158624791) is 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;methyl 2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-propan-2-ylbenzimidazole;bis(3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde);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.

What is the SMILES notation for 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;methyl 2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-propan-2-ylbenzimidazole;bis(3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde);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?

The canonical SMILES for 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;methyl 2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-propan-2-ylbenzimidazole;bis(3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde);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 is C=C1CCC(F)(F)c2c(C(F)(F)F)nn(C(C)C)c21.CC(C)c1[nH]nc2ccccc12.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)n1cc(C2=CCCCC2)c(C(F)(F)F)n1.CC(C)n1cnc2ccccc21.CC(C)n1nc(C(F)(F)F)c2c1C(C)(F)C1CC21.CC(C)n1nc(C(F)(F)F)c2c1CCC(=O)C2.CC(C)n1nc(C(F)(F)F)c2c1CCC(O)C2.CC(C)n1nc(C(F)F)c2c1C(F)(F)C1CC21.CC(C)n1nc(C(F)F)c2c1C1CC(C1)C2=O.CC(C)n1nc(C=O)c2c1C1CCC2C1.CC(C)n1nc(C=O)c2c1C1CCC2C1.COC(=O)c1c2c(nn1C(C)C)COC2.COC(=O)c1nn(C(C)C)c2c1COC2.

What is the InChIKey of 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;methyl 2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-propan-2-ylbenzimidazole;bis(3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde);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?

The InChIKey is HYLKRJVQMXCBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2.C12H14BrN.C12H13F5N2.C12H14F4N2.C12H14F2N2O.C12H14FNO2S.2C12H16N2O.C11H12F4N2.C11H15F3N2O.C11H13F3N2O.2C10H14N2O3.2C10H12N2.C8H11F3N2O/c1-9(2)18-8-11(10-6-4-3-5-7-10)12(17-18)13(14,15)16;1-8(2)11-7-14(3)12-5-4-9(13)6-10(11)12;1-6(2)19-9-7(3)4-5-11(13,14)8(9)10(18-19)12(15,16)17;1-5(2)18-10-8(9(17-18)12(14,15)16)6-4-7(6)11(10,3)13;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;2*1-7(2)14-12-9-4-3-8(5-9)11(12)10(6-15)13-14;1-4(2)17-9-7(8(16-17)10(12)13)5-3-6(5)11(9,14)15;2*1-6(2)16-9-4-3-7(17)5-8(9)10(15-16)11(12,13)14;1-6(2)12-8-5-15-4-7(8)9(11-12)10(13)14-3;1-6(2)12-9(10(13)14-3)7-4-15-5-8(7)11-12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-5(2)13-3-6(8(9,10)11)12-7(13)4-14/h6,8-9H,3-5,7H2,1-2H3;4-8H,1-3H3;6H,3-5H2,1-2H3;5-7H,4H2,1-3H3;5-7,12H,3-4H2,1-2H3;4-8H,1-3H3;2*6-9H,3-5H2,1-2H3;4-6,10H,3H2,1-2H3;6-7,17H,3-5H2,1-2H3;6H,3-5H2,1-2H3;2*6H,4-5H2,1-3H3;3-8H,1-2H3;3-7H,1-2H3,(H,11,12);3,5,14H,4H2,1-2H3.

What are the key properties of 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;methyl 2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-propan-2-ylbenzimidazole;bis(3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde);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?

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;methyl 2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-propan-2-ylbenzimidazole;bis(3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde);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 has a molecular weight of 3648.84 g/mol, XLogP of 46.08, 25 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 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;methyl 2-propan-2-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carboxylate;methyl 1-propan-2-yl-4,6-dihydrofuro[3,4-d]pyrazole-3-carboxylate;1-propan-2-ylbenzimidazole;bis(3-propan-2-yl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbaldehyde);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 is sourced from PubChem (CID 158624791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158624791 — identifiers, structure, computed properties (public domain)

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