2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid

C17H14N6O2 — CID 70694621

IUPAC2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
SMILESNc1ccc2cnn(-c3cncc(-n4ccc(CC(=O)O)c4)n3)c2c1
InChIInChI=1S/C17H14N6O2/c18-13-2-1-12-7-20-23(14(12)6-13)16-9-19-8-15(21-16)22-4-3-11(10-22)5-17(24)25/h1-4,6-10H,5,18H2,(H,24,25)
InChIKeyMSGXDWXKBFENFM-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.82
Rot. Bonds4

About 2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid

2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid (PubChem CID 70694621) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
PubChem CID70694621
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
SMILESNc1ccc2cnn(-c3cncc(-n4ccc(CC(=O)O)c4)n3)c2c1
InChIInChI=1S/C17H14N6O2/c18-13-2-1-12-7-20-23(14(12)6-13)16-9-19-8-15(21-16)22-4-3-11(10-22)5-17(24)25/h1-4,6-10H,5,18H2,(H,24,25)
InChIKeyMSGXDWXKBFENFM-UHFFFAOYSA-N
XLogP1.82
TPSA111.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid (CID 70694621) is 2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid is Nc1ccc2cnn(-c3cncc(-n4ccc(CC(=O)O)c4)n3)c2c1.
What is the InChIKey of 2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
The InChIKey is MSGXDWXKBFENFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c18-13-2-1-12-7-20-23(14(12)6-13)16-9-19-8-15(21-16)22-4-3-11(10-22)5-17(24)25/h1-4,6-10H,5,18H2,(H,24,25).
What are the key properties of 2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid has a molecular weight of 334.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(6-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid is sourced from PubChem (CID 70694621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).