[2-[bis(phenylmethoxy)phosphoryloxymethyl]phenyl] 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;dibenzyl (2-hydroxyphenyl)methyl phosphate;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;[2-(phosphonooxymethyl)phenyl] 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

C153H149F12N12O17P3 — CID 157406095

About [2-[bis(phenylmethoxy)phosphoryloxymethyl]phenyl] 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;dibenzyl (2-hydroxyphenyl)methyl phosphate;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;[2-(phosphonooxymethyl)phenyl] 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

[2-[bis(phenylmethoxy)phosphoryloxymethyl]phenyl] 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;dibenzyl (2-hydroxyphenyl)methyl phosphate;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;[2-(phosphonooxymethyl)phenyl] 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 157406095) has the molecular formula C153H149F12N12O17P3 and a molecular weight of 2748.84 g/mol. Its IUPAC name is [2-[bis(phenylmethoxy)phosphoryloxymethyl]phenyl] 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;dibenzyl (2-hydroxyphenyl)methyl phosphate;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;[2-(phosphonooxymethyl)phenyl] 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: [2-[bis(phenylmethoxy)phosphoryloxymethyl]phenyl] 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;dibenzyl (2-hydroxyphenyl)methyl phosphate;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;[2-(phosphonooxymethyl)phenyl] 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: 157406095
• Molecular Formula: C153H149F12N12O17P3
• Molecular Weight: 2748.84 g/mol
• Exact Mass: 2747.02
• IUPAC Name: [2-[bis(phenylmethoxy)phosphoryloxymethyl]phenyl] 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;dibenzyl (2-hydroxyphenyl)methyl phosphate;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;[2-(phosphonooxymethyl)phenyl] 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: 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)Oc1ccccc1COP(=O)(O)O)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)Oc1ccccc1COP(=O)(OCc1ccccc1)OCc1ccccc1)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.O=P(OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1O
• InChI: InChI=1S/C56H53F4N4O6P.C42H41F4N4O6P.C34H34F4N4.C21H21O5P/c1-6-40-22-16-23-41(7-2)50(40)64-51(47-33-62(55(4,5)53(47)61-64)32-42-25-26-44(31-37(42)3)56(58,59)60)45-27-28-48(57)52-46(45)29-30-63(52)54(65)70-49-24-15-14-21-43(49)36-69-71(66,67-34-38-17-10-8-11-18-38)68-35-39-19-12-9-13-20-39;1-6-26-12-10-13-27(7-2)36(26)50-37(33-23-48(41(4,5)39(33)47-50)22-28-15-16-30(21-25(28)3)42(44,45)46)31-17-18-34(43)38-32(31)19-20-49(38)40(51)56-35-14-9-8-11-29(35)24-55-57(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;22-21-14-8-7-13-20(21)17-26-27(23,24-15-18-9-3-1-4-10-18)25-16-19-11-5-2-6-12-19/h8-31H,6-7,32-36H2,1-5H3;8-21H,6-7,22-24H2,1-5H3,(H2,52,53,54);8-17,39H,6-7,18-19H2,1-5H3;1-14,22H,15-17H2
• InChIKey: BNSQOPZRHQLRCD-UHFFFAOYSA-N
• XLogP: 38.75
• TPSA: 317.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 41
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2748.84
LogP ≤ 5	38.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[bis(phenylmethoxy)phosphoryloxymethyl]phenyl] 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;dibenzyl (2-hydroxyphenyl)methyl phosphate;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;[2-(phosphonooxymethyl)phenyl] 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 [2-[bis(phenylmethoxy)phosphoryloxymethyl]phenyl] 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;dibenzyl (2-hydroxyphenyl)methyl phosphate;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;[2-(phosphonooxymethyl)phenyl] 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 157406095) is [2-[bis(phenylmethoxy)phosphoryloxymethyl]phenyl] 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;dibenzyl (2-hydroxyphenyl)methyl phosphate;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;[2-(phosphonooxymethyl)phenyl] 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 [2-[bis(phenylmethoxy)phosphoryloxymethyl]phenyl] 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;dibenzyl (2-hydroxyphenyl)methyl phosphate;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;[2-(phosphonooxymethyl)phenyl] 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 [2-[bis(phenylmethoxy)phosphoryloxymethyl]phenyl] 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;dibenzyl (2-hydroxyphenyl)methyl phosphate;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;[2-(phosphonooxymethyl)phenyl] 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 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)Oc1ccccc1COP(=O)(O)O)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)Oc1ccccc1COP(=O)(OCc1ccccc1)OCc1ccccc1)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.O=P(OCc1ccccc1)(OCc1ccccc1)OCc1ccccc1O.

What is the InChIKey of [2-[bis(phenylmethoxy)phosphoryloxymethyl]phenyl] 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;dibenzyl (2-hydroxyphenyl)methyl phosphate;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;[2-(phosphonooxymethyl)phenyl] 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 BNSQOPZRHQLRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H53F4N4O6P.C42H41F4N4O6P.C34H34F4N4.C21H21O5P/c1-6-40-22-16-23-41(7-2)50(40)64-51(47-33-62(55(4,5)53(47)61-64)32-42-25-26-44(31-37(42)3)56(58,59)60)45-27-28-48(57)52-46(45)29-30-63(52)54(65)70-49-24-15-14-21-43(49)36-69-71(66,67-34-38-17-10-8-11-18-38)68-35-39-19-12-9-13-20-39;1-6-26-12-10-13-27(7-2)36(26)50-37(33-23-48(41(4,5)39(33)47-50)22-28-15-16-30(21-25(28)3)42(44,45)46)31-17-18-34(43)38-32(31)19-20-49(38)40(51)56-35-14-9-8-11-29(35)24-55-57(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;22-21-14-8-7-13-20(21)17-26-27(23,24-15-18-9-3-1-4-10-18)25-16-19-11-5-2-6-12-19/h8-31H,6-7,32-36H2,1-5H3;8-21H,6-7,22-24H2,1-5H3,(H2,52,53,54);8-17,39H,6-7,18-19H2,1-5H3;1-14,22H,15-17H2.

What are the key properties of [2-[bis(phenylmethoxy)phosphoryloxymethyl]phenyl] 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;dibenzyl (2-hydroxyphenyl)methyl phosphate;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;[2-(phosphonooxymethyl)phenyl] 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?

[2-[bis(phenylmethoxy)phosphoryloxymethyl]phenyl] 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;dibenzyl (2-hydroxyphenyl)methyl phosphate;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;[2-(phosphonooxymethyl)phenyl] 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 2748.84 g/mol, XLogP of 38.75, 41 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[bis(phenylmethoxy)phosphoryloxymethyl]phenyl] 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;dibenzyl (2-hydroxyphenyl)methyl phosphate;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;[2-(phosphonooxymethyl)phenyl] 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 157406095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).