2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(4-chloro-1-ethyl-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

C70H93ClN6O9 — CID 158621504

About 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(4-chloro-1-ethyl-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(4-chloro-1-ethyl-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 158621504) has the molecular formula C70H93ClN6O9 and a molecular weight of 1198.00 g/mol. Its IUPAC name is 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(4-chloro-1-ethyl-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

• Compound Name: 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(4-chloro-1-ethyl-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
• PubChem CID: 158621504
• Molecular Formula: C70H93ClN6O9
• Molecular Weight: 1198.00 g/mol
• Exact Mass: 1196.67
• IUPAC Name: 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(4-chloro-1-ethyl-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
• SMILES: CCn1c(C)c(C)c2c(-c3ccc(C)cc3)c(C(OC(C)(C)C)C(=O)O)c(C)nc21.CCn1c(C)c(C)c2c(-c3ccc(C)cc3)c(C(OC(C)(C)C)C(=O)OC)c(C)nc21.CCn1c(C)c(C)c2c(Cl)c(C(OC(C)(C)C)C(=O)OC)c(C)nc21
• InChI: InChI=1S/C26H34N2O3.C25H32N2O3.C19H27ClN2O3/c1-10-28-18(5)16(3)20-22(19-13-11-15(2)12-14-19)21(17(4)27-24(20)28)23(25(29)30-9)31-26(6,7)8;1-9-27-17(5)15(3)19-21(18-12-10-14(2)11-13-18)20(16(4)26-23(19)27)22(24(28)29)30-25(6,7)8;1-9-22-12(4)10(2)13-15(20)14(11(3)21-17(13)22)16(18(23)24-8)25-19(5,6)7/h11-14,23H,10H2,1-9H3;10-13,22H,9H2,1-8H3,(H,28,29);16H,9H2,1-8H3
• InChIKey: HYBBVRZIUQQNKL-UHFFFAOYSA-N
• XLogP: 16.55
• TPSA: 171.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1198.00
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(4-chloro-1-ethyl-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 158621504) is 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(4-chloro-1-ethyl-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.

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

The canonical SMILES for 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(4-chloro-1-ethyl-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is CCn1c(C)c(C)c2c(-c3ccc(C)cc3)c(C(OC(C)(C)C)C(=O)O)c(C)nc21.CCn1c(C)c(C)c2c(-c3ccc(C)cc3)c(C(OC(C)(C)C)C(=O)OC)c(C)nc21.CCn1c(C)c(C)c2c(Cl)c(C(OC(C)(C)C)C(=O)OC)c(C)nc21.

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

The InChIKey is HYBBVRZIUQQNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3.C25H32N2O3.C19H27ClN2O3/c1-10-28-18(5)16(3)20-22(19-13-11-15(2)12-14-19)21(17(4)27-24(20)28)23(25(29)30-9)31-26(6,7)8;1-9-27-17(5)15(3)19-21(18-12-10-14(2)11-13-18)20(16(4)26-23(19)27)22(24(28)29)30-25(6,7)8;1-9-22-12(4)10(2)13-15(20)14(11(3)21-17(13)22)16(18(23)24-8)25-19(5,6)7/h11-14,23H,10H2,1-9H3;10-13,22H,9H2,1-8H3,(H,28,29);16H,9H2,1-8H3.

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

2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(4-chloro-1-ethyl-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 1198.00 g/mol, XLogP of 16.55, 14 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;methyl 2-(4-chloro-1-ethyl-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[1-ethyl-2,3,6-trimethyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 158621504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).