2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid

C18H14N4O2 — CID 70686257

IUPAC2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(-c2cncc(-n3ccc4ccccc43)n2)c1
InChIInChI=1S/C18H14N4O2/c23-18(24)9-13-5-7-21(12-13)16-10-19-11-17(20-16)22-8-6-14-3-1-2-4-15(14)22/h1-8,10-12H,9H2,(H,23,24)
InChIKeyTXGBBPFLTDJWOZ-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.84
Rot. Bonds4

About 2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid

2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid (PubChem CID 70686257) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid
PubChem CID70686257
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(-c2cncc(-n3ccc4ccccc43)n2)c1
InChIInChI=1S/C18H14N4O2/c23-18(24)9-13-5-7-21(12-13)16-10-19-11-17(20-16)22-8-6-14-3-1-2-4-15(14)22/h1-8,10-12H,9H2,(H,23,24)
InChIKeyTXGBBPFLTDJWOZ-UHFFFAOYSA-N
XLogP2.84
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid (CID 70686257) is 2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid is O=C(O)Cc1ccn(-c2cncc(-n3ccc4ccccc43)n2)c1.
What is the InChIKey of 2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid?
The InChIKey is TXGBBPFLTDJWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-18(24)9-13-5-7-21(12-13)16-10-19-11-17(20-16)22-8-6-14-3-1-2-4-15(14)22/h1-8,10-12H,9H2,(H,23,24).
What are the key properties of 2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid?
2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid has a molecular weight of 318.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid is sourced from PubChem (CID 70686257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).