2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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

C80H89Cl3N8O9 — CID 158563041

About 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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 158563041) has the molecular formula C80H89Cl3N8O9 and a molecular weight of 1413.00 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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: 158563041
• Molecular Formula: C80H89Cl3N8O9
• Molecular Weight: 1413.00 g/mol
• Exact Mass: 1410.58
• IUPAC Name: 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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)n2Cc2cccnc2)c1-c1ccc(Cl)cc1.Cc1nc2c(c(C)c(C)n2Cc2cccnc2)c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)O
• InChI: InChI=1S/C29H32ClN3O3.C28H30ClN3O3.C23H27ClN2O3/c1-17-19(3)33(16-20-9-8-14-31-15-20)27-23(17)25(21-10-12-22(30)13-11-21)24(18(2)32-27)26(28(34)35-7)36-29(4,5)6;1-16-18(3)32(15-19-8-7-13-30-14-19)26-22(16)24(20-9-11-21(29)12-10-20)23(17(2)31-26)25(27(33)34)35-28(4,5)6;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/h8-15,26H,16H2,1-7H3;7-14,25H,15H2,1-6H3,(H,33,34);8-11,20H,1-7H3,(H,25,26)
• InChIKey: HRCWEKLVKHKJDS-UHFFFAOYSA-N
• XLogP: 19.26
• TPSA: 207.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1413.00
LogP ≤ 5	19.26
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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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 158563041) is 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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)n2Cc2cccnc2)c1-c1ccc(Cl)cc1.Cc1nc2c(c(C)c(C)n2Cc2cccnc2)c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)O.

What is the InChIKey of 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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 HRCWEKLVKHKJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN3O3.C28H30ClN3O3.C23H27ClN2O3/c1-17-19(3)33(16-20-9-8-14-31-15-20)27-23(17)25(21-10-12-22(30)13-11-21)24(18(2)32-27)26(28(34)35-7)36-29(4,5)6;1-16-18(3)32(15-19-8-7-13-30-14-19)26-22(16)24(20-9-11-21(29)12-10-20)23(17(2)31-26)25(27(33)34)35-28(4,5)6;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/h8-15,26H,16H2,1-7H3;7-14,25H,15H2,1-6H3,(H,33,34);8-11,20H,1-7H3,(H,25,26).

What are the key properties of 2-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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 1413.00 g/mol, XLogP of 19.26, 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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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 158563041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).