2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C13H10N4O2 — CID 89453154

IUPAC2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(Nc3ccccc3)nc12
InChIInChI=1S/C13H10N4O2/c18-13(19)9-6-14-12-11(9)17-10(7-15-12)16-8-4-2-1-3-5-8/h1-7H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyUAFPQRSMFPNCQI-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.40
Rot. Bonds3

About 2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 89453154) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID89453154
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(Nc3ccccc3)nc12
InChIInChI=1S/C13H10N4O2/c18-13(19)9-6-14-12-11(9)17-10(7-15-12)16-8-4-2-1-3-5-8/h1-7H,(H,14,15)(H,16,17)(H,18,19)
InChIKeyUAFPQRSMFPNCQI-UHFFFAOYSA-N
XLogP2.40
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 89453154) is 2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1c[nH]c2ncc(Nc3ccccc3)nc12.
What is the InChIKey of 2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is UAFPQRSMFPNCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c18-13(19)9-6-14-12-11(9)17-10(7-15-12)16-8-4-2-1-3-5-8/h1-7H,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 89453154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).