ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate

C29H31BrN6O7 — CID 158326353

About ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate

ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate (PubChem CID 158326353) has the molecular formula C29H31BrN6O7 and a molecular weight of 655.51 g/mol. Its IUPAC name is ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
• PubChem CID: 158326353
• Molecular Formula: C29H31BrN6O7
• Molecular Weight: 655.51 g/mol
• Exact Mass: 654.14
• IUPAC Name: ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate
• SMILES: CCOC(=O)c1c(C)[nH]c2ncc(-c3cc(OC)c(OC)c(OC)c3)nc12.CCOC(=O)c1c(C)[nH]c2ncc(Br)nc12
• InChI: InChI=1S/C19H21N3O5.C10H10BrN3O2/c1-6-27-19(23)15-10(2)21-18-16(15)22-12(9-20-18)11-7-13(24-3)17(26-5)14(8-11)25-4;1-3-16-10(15)7-5(2)13-9-8(7)14-6(11)4-12-9/h7-9H,6H2,1-5H3,(H,20,21);4H,3H2,1-2H3,(H,12,13)
• InChIKey: GPLMUTDCWNKNLM-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 163.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	655.51
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?

The IUPAC name of ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate (CID 158326353) is ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate.

What is the SMILES notation for ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?

The canonical SMILES for ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate is CCOC(=O)c1c(C)[nH]c2ncc(-c3cc(OC)c(OC)c(OC)c3)nc12.CCOC(=O)c1c(C)[nH]c2ncc(Br)nc12.

What is the InChIKey of ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?

The InChIKey is GPLMUTDCWNKNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5.C10H10BrN3O2/c1-6-27-19(23)15-10(2)21-18-16(15)22-12(9-20-18)11-7-13(24-3)17(26-5)14(8-11)25-4;1-3-16-10(15)7-5(2)13-9-8(7)14-6(11)4-12-9/h7-9H,6H2,1-5H3,(H,20,21);4H,3H2,1-2H3,(H,12,13).

What are the key properties of ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate?

ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate has a molecular weight of 655.51 g/mol, XLogP of 5.34, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-bromo-6-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 6-methyl-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate is sourced from PubChem (CID 158326353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).