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

C16H16N4O2 — CID 54674369

IUPAC2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12
InChIInChI=1S/C16H16N4O2/c1-10(2)19-16(21)12-8-17-15-14(12)20-13(9-18-15)22-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18)(H,19,21)
InChIKeyGFOUEDIPVAYXKK-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.89
Rot. Bonds4

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

2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 54674369) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID54674369
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12
InChIInChI=1S/C16H16N4O2/c1-10(2)19-16(21)12-8-17-15-14(12)20-13(9-18-15)22-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18)(H,19,21)
InChIKeyGFOUEDIPVAYXKK-UHFFFAOYSA-N
XLogP2.89
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 54674369) is 2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)NC(=O)c1c[nH]c2ncc(Oc3ccccc3)nc12.
What is the InChIKey of 2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is GFOUEDIPVAYXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10(2)19-16(21)12-8-17-15-14(12)20-13(9-18-15)22-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,17,18)(H,19,21).
What are the key properties of 2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 54674369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).