1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone

C23H26N4O5 — CID 59540833

IUPAC1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCOc1cc(-c2cnc3[nH]cc(C(=O)C4(C)CCCN4C(C)=O)c3n2)cc(OC)c1OC
InChIInChI=1S/C23H26N4O5/c1-13(28)27-8-6-7-23(27,2)21(29)15-11-24-22-19(15)26-16(12-25-22)14-9-17(30-3)20(32-5)18(10-14)31-4/h9-12H,6-8H2,1-5H3,(H,24,25)
InChIKeyFGRHZZBVYUPULN-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.23
Rot. Bonds6

About 1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone

1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 59540833) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is 1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID59540833
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone
SMILESCOc1cc(-c2cnc3[nH]cc(C(=O)C4(C)CCCN4C(C)=O)c3n2)cc(OC)c1OC
InChIInChI=1S/C23H26N4O5/c1-13(28)27-8-6-7-23(27,2)21(29)15-11-24-22-19(15)26-16(12-25-22)14-9-17(30-3)20(32-5)18(10-14)31-4/h9-12H,6-8H2,1-5H3,(H,24,25)
InChIKeyFGRHZZBVYUPULN-UHFFFAOYSA-N
XLogP3.23
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone (CID 59540833) is 1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone is COc1cc(-c2cnc3[nH]cc(C(=O)C4(C)CCCN4C(C)=O)c3n2)cc(OC)c1OC.
What is the InChIKey of 1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is FGRHZZBVYUPULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-13(28)27-8-6-7-23(27,2)21(29)15-11-24-22-19(15)26-16(12-25-22)14-9-17(30-3)20(32-5)18(10-14)31-4/h9-12H,6-8H2,1-5H3,(H,24,25).
What are the key properties of 1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone?
1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 438.48 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 59540833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).