[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]methanol;[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]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;(3-chloro-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;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

C141H138Cl3F12N12O15P3 — CID 161080174

About [3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]methanol;[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]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;(3-chloro-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;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

[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]methanol;[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]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;(3-chloro-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;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 (PubChem CID 161080174) has the molecular formula C141H138Cl3F12N12O15P3 and a molecular weight of 2667.98 g/mol. Its IUPAC name is [3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]methanol;[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]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;(3-chloro-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;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.

Molecular Properties

• Compound Name: [3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]methanol;[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]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;(3-chloro-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;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
• PubChem CID: 161080174
• Molecular Formula: C141H138Cl3F12N12O15P3
• Molecular Weight: 2667.98 g/mol
• Exact Mass: 2664.85
• IUPAC Name: [3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]methanol;[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]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;(3-chloro-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;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
• 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)OCc1ccc(OP(=O)(O)O)c(Cl)c1)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCc1ccc(OP(C)(=O)OCc3ccccc3)c(Cl)c1)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CP(=O)(OCc1ccccc1)Oc1ccc(CO)cc1Cl
• InChI: InChI=1S/C50H48ClF4N4O5P.C42H40ClF4N4O6P.C34H34F4N4.C15H16ClO4P/c1-7-34-15-12-16-35(8-2)44(34)59-45(40-28-57(49(4,5)47(40)56-59)27-36-18-19-37(25-31(36)3)50(53,54)55)38-20-21-42(52)46-39(38)23-24-58(46)48(60)62-29-33-17-22-43(41(51)26-33)64-65(6,61)63-30-32-13-10-9-11-14-32;1-6-26-9-8-10-27(7-2)36(26)51-37(32-22-49(41(4,5)39(32)48-51)21-28-12-13-29(19-24(28)3)42(45,46)47)30-14-15-34(44)38-31(30)17-18-50(38)40(52)56-23-25-11-16-35(33(43)20-25)57-58(53,54)55;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;1-21(18,19-11-12-5-3-2-4-6-12)20-15-8-7-13(10-17)9-14(15)16/h9-26H,7-8,27-30H2,1-6H3;8-20H,6-7,21-23H2,1-5H3,(H2,53,54,55);8-17,39H,6-7,18-19H2,1-5H3;2-9,17H,10-11H2,1H3
• InChIKey: UFUREDQPICIJLA-UHFFFAOYSA-N
• XLogP: 37.35
• TPSA: 299.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 35
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2667.98
LogP ≤ 5	37.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]methanol;[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]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;(3-chloro-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;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?

The IUPAC name of [3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]methanol;[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]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;(3-chloro-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;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 (CID 161080174) is [3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]methanol;[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]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;(3-chloro-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;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.

What is the SMILES notation for [3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]methanol;[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]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;(3-chloro-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;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?

The canonical SMILES for [3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]methanol;[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]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;(3-chloro-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;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 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)OCc1ccc(OP(=O)(O)O)c(Cl)c1)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCc1ccc(OP(C)(=O)OCc3ccccc3)c(Cl)c1)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CP(=O)(OCc1ccccc1)Oc1ccc(CO)cc1Cl.

What is the InChIKey of [3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]methanol;[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]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;(3-chloro-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;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?

The InChIKey is UFUREDQPICIJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H48ClF4N4O5P.C42H40ClF4N4O6P.C34H34F4N4.C15H16ClO4P/c1-7-34-15-12-16-35(8-2)44(34)59-45(40-28-57(49(4,5)47(40)56-59)27-36-18-19-37(25-31(36)3)50(53,54)55)38-20-21-42(52)46-39(38)23-24-58(46)48(60)62-29-33-17-22-43(41(51)26-33)64-65(6,61)63-30-32-13-10-9-11-14-32;1-6-26-9-8-10-27(7-2)36(26)51-37(32-22-49(41(4,5)39(32)48-51)21-28-12-13-29(19-24(28)3)42(45,46)47)30-14-15-34(44)38-31(30)17-18-50(38)40(52)56-23-25-11-16-35(33(43)20-25)57-58(53,54)55;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;1-21(18,19-11-12-5-3-2-4-6-12)20-15-8-7-13(10-17)9-14(15)16/h9-26H,7-8,27-30H2,1-6H3;8-20H,6-7,21-23H2,1-5H3,(H2,53,54,55);8-17,39H,6-7,18-19H2,1-5H3;2-9,17H,10-11H2,1H3.

What are the key properties of [3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]methanol;[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]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;(3-chloro-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;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?

[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]methanol;[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]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;(3-chloro-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;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 has a molecular weight of 2667.98 g/mol, XLogP of 37.35, 35 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]methanol;[3-chloro-4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]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;(3-chloro-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;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 is sourced from PubChem (CID 161080174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).