2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C17H15N5O2 — CID 67008244

IUPAC2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ncc(Oc3cccc(C#N)c3)nc12
InChIInChI=1S/C17H15N5O2/c1-2-6-19-17(23)13-9-20-16-15(13)22-14(10-21-16)24-12-5-3-4-11(7-12)8-18/h3-5,7,9-10H,2,6H2,1H3,(H,19,23)(H,20,21)
InChIKeyQUVRJWDDZTWYPX-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.76
Rot. Bonds5

About 2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 67008244) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID67008244
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ncc(Oc3cccc(C#N)c3)nc12
InChIInChI=1S/C17H15N5O2/c1-2-6-19-17(23)13-9-20-16-15(13)22-14(10-21-16)24-12-5-3-4-11(7-12)8-18/h3-5,7,9-10H,2,6H2,1H3,(H,19,23)(H,20,21)
InChIKeyQUVRJWDDZTWYPX-UHFFFAOYSA-N
XLogP2.76
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide 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 2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 67008244) is 2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCCNC(=O)c1c[nH]c2ncc(Oc3cccc(C#N)c3)nc12.
What is the InChIKey of 2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is QUVRJWDDZTWYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-2-6-19-17(23)13-9-20-16-15(13)22-14(10-21-16)24-12-5-3-4-11(7-12)8-18/h3-5,7,9-10H,2,6H2,1H3,(H,19,23)(H,20,21).
What are the key properties of 2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 67008244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).