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

C17H13N5O2 — CID 70686258

IUPAC2-[1-(6-indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(-c2cncc(-n3ncc4ccccc43)n2)c1
InChIInChI=1S/C17H13N5O2/c23-17(24)7-12-5-6-21(11-12)15-9-18-10-16(20-15)22-14-4-2-1-3-13(14)8-19-22/h1-6,8-11H,7H2,(H,23,24)
InChIKeyAQFKBVPIIUKPRT-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.23
Rot. Bonds4

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

2-[1-(6-indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid (PubChem CID 70686258) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[1-(6-indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid
PubChem CID70686258
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name2-[1-(6-indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(-c2cncc(-n3ncc4ccccc43)n2)c1
InChIInChI=1S/C17H13N5O2/c23-17(24)7-12-5-6-21(11-12)15-9-18-10-16(20-15)22-14-4-2-1-3-13(14)8-19-22/h1-6,8-11H,7H2,(H,23,24)
InChIKeyAQFKBVPIIUKPRT-UHFFFAOYSA-N
XLogP2.23
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid (CID 70686258) is 2-[1-(6-indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid is O=C(O)Cc1ccn(-c2cncc(-n3ncc4ccccc43)n2)c1.
What is the InChIKey of 2-[1-(6-indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid?
The InChIKey is AQFKBVPIIUKPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c23-17(24)7-12-5-6-21(11-12)15-9-18-10-16(20-15)22-14-4-2-1-3-13(14)8-19-22/h1-6,8-11H,7H2,(H,23,24).
What are the key properties of 2-[1-(6-indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid?
2-[1-(6-indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid has a molecular weight of 319.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid is sourced from PubChem (CID 70686258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).