2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid

C14H10N4O4 — CID 20791241

IUPAC2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid
SMILESCOc1cnc(-c2cnccn2)c2[nH]cc(C(=O)C(=O)O)c12
InChIInChI=1S/C14H10N4O4/c1-22-9-6-18-11(8-5-15-2-3-16-8)12-10(9)7(4-17-12)13(19)14(20)21/h2-6,17H,1H3,(H,20,21)
InChIKeyZBBXYWGCFWNWST-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.30
Rot. Bonds4

About 2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid

2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid (PubChem CID 20791241) has the molecular formula C14H10N4O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid
PubChem CID20791241
Molecular FormulaC14H10N4O4
Molecular Weight298.26 g/mol
Exact Mass298.07
IUPAC Name2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid
SMILESCOc1cnc(-c2cnccn2)c2[nH]cc(C(=O)C(=O)O)c12
InChIInChI=1S/C14H10N4O4/c1-22-9-6-18-11(8-5-15-2-3-16-8)12-10(9)7(4-17-12)13(19)14(20)21/h2-6,17H,1H3,(H,20,21)
InChIKeyZBBXYWGCFWNWST-UHFFFAOYSA-N
XLogP1.30
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid?
The IUPAC name of 2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid (CID 20791241) is 2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid is COc1cnc(-c2cnccn2)c2[nH]cc(C(=O)C(=O)O)c12.
What is the InChIKey of 2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid?
The InChIKey is ZBBXYWGCFWNWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O4/c1-22-9-6-18-11(8-5-15-2-3-16-8)12-10(9)7(4-17-12)13(19)14(20)21/h2-6,17H,1H3,(H,20,21).
What are the key properties of 2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid?
2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid has a molecular weight of 298.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid is sourced from PubChem (CID 20791241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).