2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H20N4O2 — CID 58522322

IUPAC2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCc1cccc(Oc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1
InChIInChI=1S/C18H20N4O2/c1-4-12-6-5-7-13(8-12)24-15-10-20-17-16(22-15)14(9-19-17)18(23)21-11(2)3/h5-11H,4H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyIUHHPKRKDSGDFI-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.45
Rot. Bonds5

About 2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58522322) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID58522322
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCc1cccc(Oc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1
InChIInChI=1S/C18H20N4O2/c1-4-12-6-5-7-13(8-12)24-15-10-20-17-16(22-15)14(9-19-17)18(23)21-11(2)3/h5-11H,4H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyIUHHPKRKDSGDFI-UHFFFAOYSA-N
XLogP3.45
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58522322) is 2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCc1cccc(Oc2cnc3[nH]cc(C(=O)NC(C)C)c3n2)c1.
What is the InChIKey of 2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is IUHHPKRKDSGDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-12-6-5-7-13(8-12)24-15-10-20-17-16(22-15)14(9-19-17)18(23)21-11(2)3/h5-11H,4H2,1-3H3,(H,19,20)(H,21,23).
What are the key properties of 2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 58522322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).