2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid

C16H13N5O2S — CID 16753773

IUPAC2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid
SMILESNc1nccn2c(SCC(=O)O)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C16H13N5O2S/c17-15-14-13(11-7-9-3-1-2-4-10(9)19-11)20-16(24-8-12(22)23)21(14)6-5-18-15/h1-7,19H,8H2,(H2,17,18)(H,22,23)
InChIKeyIESCTVJJPCFOQL-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.64
Rot. Bonds4

About 2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid

2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid (PubChem CID 16753773) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid
PubChem CID16753773
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid
SMILESNc1nccn2c(SCC(=O)O)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C16H13N5O2S/c17-15-14-13(11-7-9-3-1-2-4-10(9)19-11)20-16(24-8-12(22)23)21(14)6-5-18-15/h1-7,19H,8H2,(H2,17,18)(H,22,23)
InChIKeyIESCTVJJPCFOQL-UHFFFAOYSA-N
XLogP2.64
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid?
The IUPAC name of 2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid (CID 16753773) is 2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid?
The canonical SMILES for 2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid is Nc1nccn2c(SCC(=O)O)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid?
The InChIKey is IESCTVJJPCFOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c17-15-14-13(11-7-9-3-1-2-4-10(9)19-11)20-16(24-8-12(22)23)21(14)6-5-18-15/h1-7,19H,8H2,(H2,17,18)(H,22,23).
What are the key properties of 2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid?
2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid has a molecular weight of 339.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]sulfanylacetic acid is sourced from PubChem (CID 16753773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).