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

C88H78Cl3F2N11O10 — CID 160782573

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

[1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol (PubChem CID 160782573) has the molecular formula C88H78Cl3F2N11O10 and a molecular weight of 1594.01 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol.

Molecular Properties

• Compound Name: [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol
• PubChem CID: 160782573
• Molecular Formula: C88H78Cl3F2N11O10
• Molecular Weight: 1594.01 g/mol
• Exact Mass: 1591.50
• IUPAC Name: [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol
• SMILES: COc1ccc2c(c1)c(-c1ccc(F)nc1)c(CO)n2Cc1ccccc1Cl.COc1ccc2c(c1)c(-c1cnc(OC)nc1)c(CO)n2Cc1ccc(C)cc1F.COc1ccc2c(c1)c(-c1cnc(OC)nc1)c(CO)n2Cc1ccccc1Cl.COc1ccc2c(c1)c(-c1cncnc1)c(CO)n2Cc1ccccc1Cl
• InChI: InChI=1S/C23H22FN3O3.C22H18ClFN2O2.C22H20ClN3O3.C21H18ClN3O2/c1-14-4-5-15(19(24)8-14)12-27-20-7-6-17(29-2)9-18(20)22(21(27)13-28)16-10-25-23(30-3)26-11-16;1-28-16-7-8-19-17(10-16)22(14-6-9-21(24)25-11-14)20(13-27)26(19)12-15-4-2-3-5-18(15)23;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;1-27-16-6-7-19-17(8-16)21(15-9-23-13-24-10-15)20(12-26)25(19)11-14-4-2-3-5-18(14)22/h4-11,28H,12-13H2,1-3H3;2-11,27H,12-13H2,1H3;3-11,27H,12-13H2,1-2H3;2-10,13,26H,11-12H2,1H3
• InChIKey: SATQVUQBFABURJ-UHFFFAOYSA-N
• XLogP: 17.76
• TPSA: 246.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1594.01
LogP ≤ 5	17.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

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-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol?

The IUPAC name of [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol (CID 160782573) is [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol.

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

The canonical SMILES for [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol is COc1ccc2c(c1)c(-c1ccc(F)nc1)c(CO)n2Cc1ccccc1Cl.COc1ccc2c(c1)c(-c1cnc(OC)nc1)c(CO)n2Cc1ccc(C)cc1F.COc1ccc2c(c1)c(-c1cnc(OC)nc1)c(CO)n2Cc1ccccc1Cl.COc1ccc2c(c1)c(-c1cncnc1)c(CO)n2Cc1ccccc1Cl.

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

The InChIKey is SATQVUQBFABURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3.C22H18ClFN2O2.C22H20ClN3O3.C21H18ClN3O2/c1-14-4-5-15(19(24)8-14)12-27-20-7-6-17(29-2)9-18(20)22(21(27)13-28)16-10-25-23(30-3)26-11-16;1-28-16-7-8-19-17(10-16)22(14-6-9-21(24)25-11-14)20(13-27)26(19)12-15-4-2-3-5-18(15)23;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;1-27-16-6-7-19-17(8-16)21(15-9-23-13-24-10-15)20(12-26)25(19)11-14-4-2-3-5-18(14)22/h4-11,28H,12-13H2,1-3H3;2-11,27H,12-13H2,1H3;3-11,27H,12-13H2,1-2H3;2-10,13,26H,11-12H2,1H3.

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

[1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol has a molecular weight of 1594.01 g/mol, XLogP of 17.76, 22 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(2-chlorophenyl)methyl]-3-(6-fluoro-3-pyridinyl)-5-methoxyindol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol;[1-[(2-chlorophenyl)methyl]-5-methoxy-3-pyrimidin-5-ylindol-2-yl]methanol;[1-[(2-fluoro-4-methylphenyl)methyl]-5-methoxy-3-(2-methoxypyrimidin-5-yl)indol-2-yl]methanol is sourced from PubChem (CID 160782573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).