3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol

C21H16N4O — CID 155549563

IUPAC3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCn1ccc2cc(-c3cn4c(-c5cccc(O)c5)cnc4cn3)ccc21
InChIInChI=1S/C21H16N4O/c1-24-8-7-16-9-14(5-6-19(16)24)18-13-25-20(11-23-21(25)12-22-18)15-3-2-4-17(26)10-15/h2-13,26H,1H3
InChIKeyUCJSJQHQQLXGLT-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.26
Rot. Bonds2

About 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol

3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 155549563) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID155549563
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCn1ccc2cc(-c3cn4c(-c5cccc(O)c5)cnc4cn3)ccc21
InChIInChI=1S/C21H16N4O/c1-24-8-7-16-9-14(5-6-19(16)24)18-13-25-20(11-23-21(25)12-22-18)15-3-2-4-17(26)10-15/h2-13,26H,1H3
InChIKeyUCJSJQHQQLXGLT-UHFFFAOYSA-N
XLogP4.26
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 155549563) is 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol is Cn1ccc2cc(-c3cn4c(-c5cccc(O)c5)cnc4cn3)ccc21.
What is the InChIKey of 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is UCJSJQHQQLXGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-24-8-7-16-9-14(5-6-19(16)24)18-13-25-20(11-23-21(25)12-22-18)15-3-2-4-17(26)10-15/h2-13,26H,1H3.
What are the key properties of 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 340.39 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 155549563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).