[1-[(2-chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol

C92H86Cl2F3N11O10S — CID 159069981

About [1-[(2-chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol

[1-[(2-chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol (PubChem CID 159069981) has the molecular formula C92H86Cl2F3N11O10S and a molecular weight of 1665.73 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol.

Molecular Properties

• Compound Name: [1-[(2-chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol
• PubChem CID: 159069981
• Molecular Formula: C92H86Cl2F3N11O10S
• Molecular Weight: 1665.73 g/mol
• Exact Mass: 1663.56
• IUPAC Name: [1-[(2-chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol
• SMILES: CCOc1ncc(-c2c(CO)n(Cc3ccc(C)cc3F)c3ccc(OC)cc23)cn1.CCOc1ncc(-c2c(CO)n(Cc3ccccc3Cl)c3ccc(OC)cc23)cn1.COc1ccc2c(c1)c(-c1ccc(F)nc1)c(CO)n2Cc1ccc(C)cc1F.COc1ccc2c(c1)c(-c1cnc(SC)nc1)c(CO)n2Cc1ccccc1Cl
• InChI: InChI=1S/C24H24FN3O3.C23H22ClN3O3.C23H20F2N2O2.C22H20ClN3O2S/c1-4-31-24-26-11-17(12-27-24)23-19-10-18(30-3)7-8-21(19)28(22(23)14-29)13-16-6-5-15(2)9-20(16)25;1-3-30-23-25-11-16(12-26-23)22-18-10-17(29-2)8-9-20(18)27(21(22)14-28)13-15-6-4-5-7-19(15)24;1-14-3-4-16(19(24)9-14)12-27-20-7-6-17(29-2)10-18(20)23(21(27)13-28)15-5-8-22(25)26-11-15;1-28-16-7-8-19-17(9-16)21(15-10-24-22(29-2)25-11-15)20(13-27)26(19)12-14-5-3-4-6-18(14)23/h5-12,29H,4,13-14H2,1-3H3;4-12,28H,3,13-14H2,1-2H3;3-11,28H,12-13H2,1-2H3;3-11,27H,12-13H2,1-2H3
• InChIKey: JZNHDFPOVCPVDL-UHFFFAOYSA-N
• XLogP: 19.06
• TPSA: 246.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1665.73
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol?

The IUPAC name of [1-[(2-chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol (CID 159069981) is [1-[(2-chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol.

What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol?

The canonical SMILES for [1-[(2-chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol is CCOc1ncc(-c2c(CO)n(Cc3ccc(C)cc3F)c3ccc(OC)cc23)cn1.CCOc1ncc(-c2c(CO)n(Cc3ccccc3Cl)c3ccc(OC)cc23)cn1.COc1ccc2c(c1)c(-c1ccc(F)nc1)c(CO)n2Cc1ccc(C)cc1F.COc1ccc2c(c1)c(-c1cnc(SC)nc1)c(CO)n2Cc1ccccc1Cl.

What is the InChIKey of [1-[(2-chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol?

The InChIKey is JZNHDFPOVCPVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3.C23H22ClN3O3.C23H20F2N2O2.C22H20ClN3O2S/c1-4-31-24-26-11-17(12-27-24)23-19-10-18(30-3)7-8-21(19)28(22(23)14-29)13-16-6-5-15(2)9-20(16)25;1-3-30-23-25-11-16(12-26-23)22-18-10-17(29-2)8-9-20(18)27(21(22)14-28)13-15-6-4-5-7-19(15)24;1-14-3-4-16(19(24)9-14)12-27-20-7-6-17(29-2)10-18(20)23(21(27)13-28)15-5-8-22(25)26-11-15;1-28-16-7-8-19-17(9-16)21(15-10-24-22(29-2)25-11-15)20(13-27)26(19)12-14-5-3-4-6-18(14)23/h5-12,29H,4,13-14H2,1-3H3;4-12,28H,3,13-14H2,1-2H3;3-11,28H,12-13H2,1-2H3;3-11,27H,12-13H2,1-2H3.

What are the key properties of [1-[(2-chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol?

[1-[(2-chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol has a molecular weight of 1665.73 g/mol, XLogP of 19.06, 25 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(2-chlorophenyl)methyl]-3-(2-ethoxypyrimidin-5-yl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methylsulfanylpyrimidin-5-yl)indol-2-yl]methanol;[3-(2-ethoxypyrimidin-5-yl)-1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxyindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol is sourced from PubChem (CID 159069981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).