1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C20H27N3O4 — CID 22510404

IUPAC1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC1c2ccc(C)n2CCN1C(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H27N3O4/c1-6-15-16-8-7-13(2)22(16)9-10-23(15)20(24)21-14-11-17(25-3)19(27-5)18(12-14)26-4/h7-8,11-12,15H,6,9-10H2,1-5H3,(H,21,24)
InChIKeyWZLTYYUSKUTEBX-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.82
Rot. Bonds5

About 1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 22510404) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID22510404
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC1c2ccc(C)n2CCN1C(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H27N3O4/c1-6-15-16-8-7-13(2)22(16)9-10-23(15)20(24)21-14-11-17(25-3)19(27-5)18(12-14)26-4/h7-8,11-12,15H,6,9-10H2,1-5H3,(H,21,24)
InChIKeyWZLTYYUSKUTEBX-UHFFFAOYSA-N
XLogP3.82
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 22510404) is 1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCC1c2ccc(C)n2CCN1C(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is WZLTYYUSKUTEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-6-15-16-8-7-13(2)22(16)9-10-23(15)20(24)21-14-11-17(25-3)19(27-5)18(12-14)26-4/h7-8,11-12,15H,6,9-10H2,1-5H3,(H,21,24).
What are the key properties of 1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 22510404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).