bromo(trimethyl)silane;dichloromethane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate

C137H149BrCl3F12N12O17P3Si — CID 162212919

About bromo(trimethyl)silane;dichloromethane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate

bromo(trimethyl)silane;dichloromethane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate (PubChem CID 162212919) has the molecular formula C137H149BrCl3F12N12O17P3Si and a molecular weight of 2771.01 g/mol. Its IUPAC name is bromo(trimethyl)silane;dichloromethane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate.

Molecular Properties

• Compound Name: bromo(trimethyl)silane;dichloromethane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate
• PubChem CID: 162212919
• Molecular Formula: C137H149BrCl3F12N12O17P3Si
• Molecular Weight: 2771.01 g/mol
• Exact Mass: 2766.82
• IUPAC Name: bromo(trimethyl)silane;dichloromethane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate
• SMILES: CCOP(=O)(OCC)Oc1ccc(COC(=O)n2ccc3c(-c4c5c(nn4-c4c(CC)cccc4CC)C(C)(C)N(Cc4ccc(C(F)(F)F)cc4C)C5)ccc(F)c32)cc1.CCOP(C)(=O)Oc1ccc(COC(=O)Cl)cc1.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCc1ccc(OP(=O)(O)O)cc1)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.C[Si](C)(C)Br.ClCCl
• InChI: InChI=1S/C46H49F4N4O6P.C42H41F4N4O6P.C34H34F4N4.C11H14ClO5P.C3H9BrSi.CH2Cl2/c1-8-31-13-12-14-32(9-2)40(31)54-41(38-27-52(45(6,7)43(38)51-54)26-33-17-18-34(25-29(33)5)46(48,49)50)36-21-22-39(47)42-37(36)23-24-53(42)44(55)57-28-30-15-19-35(20-16-30)60-61(56,58-10-3)59-11-4;1-6-27-9-8-10-28(7-2)36(27)50-37(34-23-48(41(4,5)39(34)47-50)22-29-13-14-30(21-25(29)3)42(44,45)46)32-17-18-35(43)38-33(32)19-20-49(38)40(51)55-24-26-11-15-31(16-12-26)56-57(52,53)54;1-6-21-9-8-10-22(7-2)30(21)42-31(26-13-14-28(35)29-25(26)15-16-39-29)27-19-41(33(4,5)32(27)40-42)18-23-11-12-24(17-20(23)3)34(36,37)38;1-3-16-18(2,14)17-10-6-4-9(5-7-10)8-15-11(12)13;1-5(2,3)4;2-1-3/h12-25H,8-11,26-28H2,1-7H3;8-21H,6-7,22-24H2,1-5H3,(H2,52,53,54);8-17,39H,6-7,18-19H2,1-5H3;4-7H,3,8H2,1-2H3;1-3H3;1H2
• InChIKey: ZTBZGUFISJFLRZ-UHFFFAOYSA-N
• XLogP: 38.37
• TPSA: 314.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 36
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2771.01
LogP ≤ 5	38.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bromo(trimethyl)silane;dichloromethane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate?

The IUPAC name of bromo(trimethyl)silane;dichloromethane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate (CID 162212919) is bromo(trimethyl)silane;dichloromethane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate.

What is the SMILES notation for bromo(trimethyl)silane;dichloromethane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate?

The canonical SMILES for bromo(trimethyl)silane;dichloromethane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate is CCOP(=O)(OCC)Oc1ccc(COC(=O)n2ccc3c(-c4c5c(nn4-c4c(CC)cccc4CC)C(C)(C)N(Cc4ccc(C(F)(F)F)cc4C)C5)ccc(F)c32)cc1.CCOP(C)(=O)Oc1ccc(COC(=O)Cl)cc1.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCc1ccc(OP(=O)(O)O)cc1)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.C[Si](C)(C)Br.ClCCl.

What is the InChIKey of bromo(trimethyl)silane;dichloromethane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate?

The InChIKey is ZTBZGUFISJFLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H49F4N4O6P.C42H41F4N4O6P.C34H34F4N4.C11H14ClO5P.C3H9BrSi.CH2Cl2/c1-8-31-13-12-14-32(9-2)40(31)54-41(38-27-52(45(6,7)43(38)51-54)26-33-17-18-34(25-29(33)5)46(48,49)50)36-21-22-39(47)42-37(36)23-24-53(42)44(55)57-28-30-15-19-35(20-16-30)60-61(56,58-10-3)59-11-4;1-6-27-9-8-10-28(7-2)36(27)50-37(34-23-48(41(4,5)39(34)47-50)22-29-13-14-30(21-25(29)3)42(44,45)46)32-17-18-35(43)38-33(32)19-20-49(38)40(51)55-24-26-11-15-31(16-12-26)56-57(52,53)54;1-6-21-9-8-10-22(7-2)30(21)42-31(26-13-14-28(35)29-25(26)15-16-39-29)27-19-41(33(4,5)32(27)40-42)18-23-11-12-24(17-20(23)3)34(36,37)38;1-3-16-18(2,14)17-10-6-4-9(5-7-10)8-15-11(12)13;1-5(2,3)4;2-1-3/h12-25H,8-11,26-28H2,1-7H3;8-21H,6-7,22-24H2,1-5H3,(H2,52,53,54);8-17,39H,6-7,18-19H2,1-5H3;4-7H,3,8H2,1-2H3;1-3H3;1H2.

What are the key properties of bromo(trimethyl)silane;dichloromethane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate?

bromo(trimethyl)silane;dichloromethane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate has a molecular weight of 2771.01 g/mol, XLogP of 38.37, 36 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for bromo(trimethyl)silane;dichloromethane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate is sourced from PubChem (CID 162212919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).