[2-[4-bis(phenylmethoxy)phosphoryloxyphenyl]acetyl]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;2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid;[2-(4-phosphonooxyphenyl)acetyl]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

C142H132F12IN18O26P3 — CID 158628765

About [2-[4-bis(phenylmethoxy)phosphoryloxyphenyl]acetyl]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;2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid;[2-(4-phosphonooxyphenyl)acetyl]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

[2-[4-bis(phenylmethoxy)phosphoryloxyphenyl]acetyl]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;2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid;[2-(4-phosphonooxyphenyl)acetyl]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 (PubChem CID 158628765) has the molecular formula C142H132F12IN18O26P3 and a molecular weight of 2954.52 g/mol. Its IUPAC name is [2-[4-bis(phenylmethoxy)phosphoryloxyphenyl]acetyl]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;2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid;[2-(4-phosphonooxyphenyl)acetyl]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.

Molecular Properties

• Compound Name: [2-[4-bis(phenylmethoxy)phosphoryloxyphenyl]acetyl]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;2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid;[2-(4-phosphonooxyphenyl)acetyl]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
• PubChem CID: 158628765
• Molecular Formula: C142H132F12IN18O26P3
• Molecular Weight: 2954.52 g/mol
• Exact Mass: 2952.76
• IUPAC Name: [2-[4-bis(phenylmethoxy)phosphoryloxyphenyl]acetyl]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;2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid;[2-(4-phosphonooxyphenyl)acetyl]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
• 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)Cc1ccc(OP(=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)Cc1ccc(OP(=O)(OCc3ccccc3)OCc3ccccc3)cc1)CN(c1ncc(C(F)(F)F)cn1)CC2.CP(=O)(OCc1ccccc1)Oc1ccc(CC(=O)O)cc1
• InChI: InChI=1S/C54H49F4N6O9P.C40H37F4N6O9P.C32H29F4IN6O3.C16H17O5P/c1-4-38-17-12-18-39(5-2)48(38)64-49(44-31-62(25-24-46(44)61-64)52-59-29-40(30-60-52)54(56,57)58)43-28-45(55)51(68-3)50-42(43)23-26-63(50)53(66)70-34-69-47(65)27-35-19-21-41(22-20-35)73-74(67,71-32-36-13-8-6-9-14-36)72-33-37-15-10-7-11-16-37;1-4-24-7-6-8-25(5-2)34(24)50-35(30-21-48(15-14-32(30)47-50)38-45-19-26(20-46-38)40(42,43)44)29-18-31(41)37(56-3)36-28(29)13-16-49(36)39(52)58-22-57-33(51)17-23-9-11-27(12-10-23)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;1-22(19,20-12-14-5-3-2-4-6-14)21-15-9-7-13(8-10-15)11-16(17)18/h6-23,26,28-30H,4-5,24-25,27,31-34H2,1-3H3;6-13,16,18-20H,4-5,14-15,17,21-22H2,1-3H3,(H2,53,54,55);6-9,12-15H,4-5,10-11,16-17H2,1-3H3;2-10H,11-12H2,1H3,(H,17,18)
• InChIKey: HYXSPGGBWRRQTH-UHFFFAOYSA-N
• XLogP: 30.37
• TPSA: 498.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 41
• Rotatable Bonds: 44
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2954.52
LogP ≤ 5	30.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	41

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 [2-[4-bis(phenylmethoxy)phosphoryloxyphenyl]acetyl]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;2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid;[2-(4-phosphonooxyphenyl)acetyl]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?

The IUPAC name of [2-[4-bis(phenylmethoxy)phosphoryloxyphenyl]acetyl]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;2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid;[2-(4-phosphonooxyphenyl)acetyl]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 (CID 158628765) is [2-[4-bis(phenylmethoxy)phosphoryloxyphenyl]acetyl]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;2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid;[2-(4-phosphonooxyphenyl)acetyl]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.

What is the SMILES notation for [2-[4-bis(phenylmethoxy)phosphoryloxyphenyl]acetyl]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;2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid;[2-(4-phosphonooxyphenyl)acetyl]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?

The canonical SMILES for [2-[4-bis(phenylmethoxy)phosphoryloxyphenyl]acetyl]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;2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid;[2-(4-phosphonooxyphenyl)acetyl]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 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)Cc1ccc(OP(=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)Cc1ccc(OP(=O)(OCc3ccccc3)OCc3ccccc3)cc1)CN(c1ncc(C(F)(F)F)cn1)CC2.CP(=O)(OCc1ccccc1)Oc1ccc(CC(=O)O)cc1.

What is the InChIKey of [2-[4-bis(phenylmethoxy)phosphoryloxyphenyl]acetyl]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;2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid;[2-(4-phosphonooxyphenyl)acetyl]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?

The InChIKey is HYXSPGGBWRRQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H49F4N6O9P.C40H37F4N6O9P.C32H29F4IN6O3.C16H17O5P/c1-4-38-17-12-18-39(5-2)48(38)64-49(44-31-62(25-24-46(44)61-64)52-59-29-40(30-60-52)54(56,57)58)43-28-45(55)51(68-3)50-42(43)23-26-63(50)53(66)70-34-69-47(65)27-35-19-21-41(22-20-35)73-74(67,71-32-36-13-8-6-9-14-36)72-33-37-15-10-7-11-16-37;1-4-24-7-6-8-25(5-2)34(24)50-35(30-21-48(15-14-32(30)47-50)38-45-19-26(20-46-38)40(42,43)44)29-18-31(41)37(56-3)36-28(29)13-16-49(36)39(52)58-22-57-33(51)17-23-9-11-27(12-10-23)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;1-22(19,20-12-14-5-3-2-4-6-14)21-15-9-7-13(8-10-15)11-16(17)18/h6-23,26,28-30H,4-5,24-25,27,31-34H2,1-3H3;6-13,16,18-20H,4-5,14-15,17,21-22H2,1-3H3,(H2,53,54,55);6-9,12-15H,4-5,10-11,16-17H2,1-3H3;2-10H,11-12H2,1H3,(H,17,18).

What are the key properties of [2-[4-bis(phenylmethoxy)phosphoryloxyphenyl]acetyl]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;2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid;[2-(4-phosphonooxyphenyl)acetyl]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?

[2-[4-bis(phenylmethoxy)phosphoryloxyphenyl]acetyl]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;2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid;[2-(4-phosphonooxyphenyl)acetyl]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 has a molecular weight of 2954.52 g/mol, XLogP of 30.37, 44 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-bis(phenylmethoxy)phosphoryloxyphenyl]acetyl]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;2-[4-[methyl(phenylmethoxy)phosphoryl]oxyphenyl]acetic acid;[2-(4-phosphonooxyphenyl)acetyl]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 is sourced from PubChem (CID 158628765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).