2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C17H15N5O2 — CID 58522238

IUPAC2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(Oc3ccc(C#N)cc3)nc12
InChIInChI=1S/C17H15N5O2/c1-10(2)21-17(23)13-8-19-16-15(13)22-14(9-20-16)24-12-5-3-11(7-18)4-6-12/h3-6,8-10H,1-2H3,(H,19,20)(H,21,23)
InChIKeyVCYTZLRIHWNOGN-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.76
Rot. Bonds4

About 2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58522238) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID58522238
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(Oc3ccc(C#N)cc3)nc12
InChIInChI=1S/C17H15N5O2/c1-10(2)21-17(23)13-8-19-16-15(13)22-14(9-20-16)24-12-5-3-11(7-18)4-6-12/h3-6,8-10H,1-2H3,(H,19,20)(H,21,23)
InChIKeyVCYTZLRIHWNOGN-UHFFFAOYSA-N
XLogP2.76
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58522238) is 2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)NC(=O)c1c[nH]c2ncc(Oc3ccc(C#N)cc3)nc12.
What is the InChIKey of 2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is VCYTZLRIHWNOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-10(2)21-17(23)13-8-19-16-15(13)22-14(9-20-16)24-12-5-3-11(7-18)4-6-12/h3-6,8-10H,1-2H3,(H,19,20)(H,21,23).
What are the key properties of 2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 58522238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).