2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

C82H93Cl3N8O9 — CID 158293137

About 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 158293137) has the molecular formula C82H93Cl3N8O9 and a molecular weight of 1441.05 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

• Compound Name: 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
• PubChem CID: 158293137
• Molecular Formula: C82H93Cl3N8O9
• Molecular Weight: 1441.05 g/mol
• Exact Mass: 1438.61
• IUPAC Name: 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
• SMILES: COC(=O)C(OC(C)(C)C)c1c(C)nc2[nH]c(C)c(C)c2c1-c1ccc(Cl)cc1.COC(=O)C(OC(C)(C)C)c1c(C)nc2c(c(C)c(C)n2Cc2cccc(C)n2)c1-c1ccc(Cl)cc1.Cc1cccc(Cn2c(C)c(C)c3c(-c4ccc(Cl)cc4)c(C(OC(C)(C)C)C(=O)O)c(C)nc32)n1
• InChI: InChI=1S/C30H34ClN3O3.C29H32ClN3O3.C23H27ClN2O3/c1-17-10-9-11-23(32-17)16-34-20(4)18(2)24-26(21-12-14-22(31)15-13-21)25(19(3)33-28(24)34)27(29(35)36-8)37-30(5,6)7;1-16-9-8-10-22(31-16)15-33-19(4)17(2)23-25(20-11-13-21(30)14-12-20)24(18(3)32-27(23)33)26(28(34)35)36-29(5,6)7;1-12-13(2)25-21-17(12)19(15-8-10-16(24)11-9-15)18(14(3)26-21)20(22(27)28-7)29-23(4,5)6/h9-15,27H,16H2,1-8H3;8-14,26H,15H2,1-7H3,(H,34,35);8-11,20H,1-7H3,(H,25,26)
• InChIKey: GLPBGTSFKDKQHU-UHFFFAOYSA-N
• XLogP: 19.88
• TPSA: 207.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1441.05
LogP ≤ 5	19.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The IUPAC name of 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 158293137) is 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.

What is the SMILES notation for 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The canonical SMILES for 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is COC(=O)C(OC(C)(C)C)c1c(C)nc2[nH]c(C)c(C)c2c1-c1ccc(Cl)cc1.COC(=O)C(OC(C)(C)C)c1c(C)nc2c(c(C)c(C)n2Cc2cccc(C)n2)c1-c1ccc(Cl)cc1.Cc1cccc(Cn2c(C)c(C)c3c(-c4ccc(Cl)cc4)c(C(OC(C)(C)C)C(=O)O)c(C)nc32)n1.

What is the InChIKey of 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The InChIKey is GLPBGTSFKDKQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O3.C29H32ClN3O3.C23H27ClN2O3/c1-17-10-9-11-23(32-17)16-34-20(4)18(2)24-26(21-12-14-22(31)15-13-21)25(19(3)33-28(24)34)27(29(35)36-8)37-30(5,6)7;1-16-9-8-10-22(31-16)15-33-19(4)17(2)23-25(20-11-13-21(30)14-12-20)24(18(3)32-27(23)33)26(28(34)35)36-29(5,6)7;1-12-13(2)25-21-17(12)19(15-8-10-16(24)11-9-15)18(14(3)26-21)20(22(27)28-7)29-23(4,5)6/h9-15,27H,16H2,1-8H3;8-14,26H,15H2,1-7H3,(H,34,35);8-11,20H,1-7H3,(H,25,26).

What are the key properties of 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?

2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 1441.05 g/mol, XLogP of 19.88, 16 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 158293137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).