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

C17H14N6O2 — CID 70684118

IUPAC2-[1-[6-(3-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
SMILESNc1nn(-c2cncc(-n3ccc(CC(=O)O)c3)n2)c2ccccc12
InChIInChI=1S/C17H14N6O2/c18-17-12-3-1-2-4-13(12)23(21-17)15-9-19-8-14(20-15)22-6-5-11(10-22)7-16(24)25/h1-6,8-10H,7H2,(H2,18,21)(H,24,25)
InChIKeySYUWNOLKWJKBQZ-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.82
Rot. Bonds4

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

2-[1-[6-(3-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid (PubChem CID 70684118) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[1-[6-(3-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[6-(3-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
PubChem CID70684118
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name2-[1-[6-(3-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid
SMILESNc1nn(-c2cncc(-n3ccc(CC(=O)O)c3)n2)c2ccccc12
InChIInChI=1S/C17H14N6O2/c18-17-12-3-1-2-4-13(12)23(21-17)15-9-19-8-14(20-15)22-6-5-11(10-22)7-16(24)25/h1-6,8-10H,7H2,(H2,18,21)(H,24,25)
InChIKeySYUWNOLKWJKBQZ-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

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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-Indol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid
CID 70686257
2-[1-(6-Indazol-1-ylpyrazin-2-yl)pyrrol-3-yl]acetic acid
CID 70686258
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-[(1,4-Dimethylpyrazol-5-yl)methyl]-4-fluorophenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225800
2-[6-Methyl-1-[4-methyl-2-[(5-methyltriazol-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 71225932

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(3-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[1-[6-(3-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid (CID 70684118) is 2-[1-[6-(3-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[6-(3-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[6-(3-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid is Nc1nn(-c2cncc(-n3ccc(CC(=O)O)c3)n2)c2ccccc12.
What is the InChIKey of 2-[1-[6-(3-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
The InChIKey is SYUWNOLKWJKBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c18-17-12-3-1-2-4-13(12)23(21-17)15-9-19-8-14(20-15)22-6-5-11(10-22)7-16(24)25/h1-6,8-10H,7H2,(H2,18,21)(H,24,25).
What are the key properties of 2-[1-[6-(3-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid?
2-[1-[6-(3-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-(3-aminoindazol-1-yl)pyrazin-2-yl]pyrrol-3-yl]acetic acid is sourced from PubChem (CID 70684118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).