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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Related Compounds

(1-(6-(6-((1-methylethyl)amino)-1H-indazol-1-yl)pyrazin-2-yl)-1H-pyrrol-3-yl)acetic acid
CID 16224058
(1-{6-[6-(Cyclopentylamino)-1h-Indazol-1-Yl]pyrazin-2-Yl}-1h-Pyrrol-3-Yl)acetic Acid
CID 16224258
2-[1-[2-[(3,5-Dimethyl-1,2,4-triazol-4-yl)methyl]-4-methylphenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225655
4-(1-benzyl-1H-indazol-5-ylamino)-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 16730263
1-{4-[1-(3-fluoro-benzyl)-1H-indazol-5-ylamino]-pyrrolo[2,1-f][1,2,4]triazin-5-ylmethyl}-piperidine-4-carboxylic acid
CID 22390522
2-[1-[6-(6-Cyanoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
CID 25057413
2-[1-[6-(3-Aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
CID 70684118
2-[1-(6-Indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid
CID 70686257
2-[1-[6-(3-Chloroindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
CID 70688379
2-[1-[6-(6-Aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
CID 70694621
2-[1-[2-[[1-(Cyclopropylmethyl)-4-methylpyrazol-5-yl]methyl]-4-methylphenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225636
2-[1-[2-[(1,4-Dimethylpyrazol-5-yl)methyl]-4-fluorophenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225800

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).