4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoic acid;[4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;[4-(phosphonooxymethyl)benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;silver

C148H136AgF12IN18O27P3 — CID 159503850

About 4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoic acid;[4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;[4-(phosphonooxymethyl)benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;silver

4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoic acid;[4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;[4-(phosphonooxymethyl)benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;silver (PubChem CID 159503850) has the molecular formula C148H136AgF12IN18O27P3 and a molecular weight of 3154.48 g/mol. Its IUPAC name is 4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoic acid;[4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;[4-(phosphonooxymethyl)benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;silver.

Molecular Properties

• Compound Name: 4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoic acid;[4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;[4-(phosphonooxymethyl)benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;silver
• PubChem CID: 159503850
• Molecular Formula: C148H136AgF12IN18O27P3
• Molecular Weight: 3154.48 g/mol
• Exact Mass: 3151.69
• IUPAC Name: 4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoic acid;[4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;[4-(phosphonooxymethyl)benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;silver
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3c1ccn3C(=O)OCI)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3c1ccn3C(=O)OCOC(=O)c1ccc(COP(=O)(O)O)cc1)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3c1ccn3C(=O)OCOC(=O)c1ccc(COP(=O)(OCc3ccccc3)OCc3ccccc3)cc1)CN(c1ncc(C(F)(F)F)cn1)CC2.O=C(O)c1ccc(COP(=O)(OCc2ccccc2)OCc2ccccc2)cc1.[Ag]
• InChI: InChI=1S/C54H49F4N6O9P.C40H37F4N6O9P.C32H29F4IN6O3.C22H21O6P.Ag/c1-4-38-17-12-18-39(5-2)47(38)64-48(44-30-62(25-24-46(44)61-64)52-59-28-41(29-60-52)54(56,57)58)43-27-45(55)50(68-3)49-42(43)23-26-63(49)53(66)70-34-69-51(65)40-21-19-37(20-22-40)33-73-74(67,71-31-35-13-8-6-9-14-35)72-32-36-15-10-7-11-16-36;1-4-24-7-6-8-25(5-2)33(24)50-34(30-20-48(15-14-32(30)47-50)38-45-18-27(19-46-38)40(42,43)44)29-17-31(41)36(56-3)35-28(29)13-16-49(35)39(52)58-22-57-37(51)26-11-9-23(10-12-26)21-59-60(53,54)55;1-4-18-7-6-8-19(5-2)26(18)43-27(22-13-24(33)29(45-3)28-21(22)9-12-42(28)31(44)46-17-37)23-16-41(11-10-25(23)40-43)30-38-14-20(15-39-30)32(34,35)36;23-22(24)21-13-11-20(12-14-21)17-28-29(25,26-15-18-7-3-1-4-8-18)27-16-19-9-5-2-6-10-19;/h6-23,26-29H,4-5,24-25,30-34H2,1-3H3;6-13,16-19H,4-5,14-15,20-22H2,1-3H3,(H2,53,54,55);6-9,12-15H,4-5,10-11,16-17H2,1-3H3;1-14H,15-17H2,(H,23,24)
• InChIKey: YTNOPINOUGNXJQ-UHFFFAOYSA-N
• XLogP: 32.50
• TPSA: 508.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 42
• Rotatable Bonds: 47
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3154.48
LogP ≤ 5	32.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoic acid;[4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;[4-(phosphonooxymethyl)benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;silver?

The IUPAC name of 4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoic acid;[4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;[4-(phosphonooxymethyl)benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;silver (CID 159503850) is 4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoic acid;[4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;[4-(phosphonooxymethyl)benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;silver.

What is the SMILES notation for 4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoic acid;[4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;[4-(phosphonooxymethyl)benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;silver?

The canonical SMILES for 4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoic acid;[4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;[4-(phosphonooxymethyl)benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;silver is CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3c1ccn3C(=O)OCI)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3c1ccn3C(=O)OCOC(=O)c1ccc(COP(=O)(O)O)cc1)CN(c1ncc(C(F)(F)F)cn1)CC2.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(OC)c3c1ccn3C(=O)OCOC(=O)c1ccc(COP(=O)(OCc3ccccc3)OCc3ccccc3)cc1)CN(c1ncc(C(F)(F)F)cn1)CC2.O=C(O)c1ccc(COP(=O)(OCc2ccccc2)OCc2ccccc2)cc1.[Ag].

What is the InChIKey of 4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoic acid;[4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;[4-(phosphonooxymethyl)benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;silver?

The InChIKey is YTNOPINOUGNXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H49F4N6O9P.C40H37F4N6O9P.C32H29F4IN6O3.C22H21O6P.Ag/c1-4-38-17-12-18-39(5-2)47(38)64-48(44-30-62(25-24-46(44)61-64)52-59-28-41(29-60-52)54(56,57)58)43-27-45(55)50(68-3)49-42(43)23-26-63(49)53(66)70-34-69-51(65)40-21-19-37(20-22-40)33-73-74(67,71-31-35-13-8-6-9-14-35)72-32-36-15-10-7-11-16-36;1-4-24-7-6-8-25(5-2)33(24)50-34(30-20-48(15-14-32(30)47-50)38-45-18-27(19-46-38)40(42,43)44)29-17-31(41)36(56-3)35-28(29)13-16-49(35)39(52)58-22-57-37(51)26-11-9-23(10-12-26)21-59-60(53,54)55;1-4-18-7-6-8-19(5-2)26(18)43-27(22-13-24(33)29(45-3)28-21(22)9-12-42(28)31(44)46-17-37)23-16-41(11-10-25(23)40-43)30-38-14-20(15-39-30)32(34,35)36;23-22(24)21-13-11-20(12-14-21)17-28-29(25,26-15-18-7-3-1-4-8-18)27-16-19-9-5-2-6-10-19;/h6-23,26-29H,4-5,24-25,30-34H2,1-3H3;6-13,16-19H,4-5,14-15,20-22H2,1-3H3,(H2,53,54,55);6-9,12-15H,4-5,10-11,16-17H2,1-3H3;1-14H,15-17H2,(H,23,24);.

What are the key properties of 4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoic acid;[4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;[4-(phosphonooxymethyl)benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;silver?

4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoic acid;[4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;[4-(phosphonooxymethyl)benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;silver has a molecular weight of 3154.48 g/mol, XLogP of 32.50, 47 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoic acid;[4-[bis(phenylmethoxy)phosphoryloxymethyl]benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;[4-(phosphonooxymethyl)benzoyl]oxymethyl 4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-7-methoxyindole-1-carboxylate;silver is sourced from PubChem (CID 159503850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).