3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine

C18H12N4O2 — CID 146316041

IUPAC3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine
SMILESc1cc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)ccn1
InChIInChI=1S/C18H12N4O2/c1-2-16-17(24-11-23-16)7-13(1)15-8-21-18-9-20-14(10-22(15)18)12-3-5-19-6-4-12/h1-10H,11H2
InChIKeyQOCKOIXUGDXSCR-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.19
Rot. Bonds2

About 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine

3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine (PubChem CID 146316041) has the molecular formula C18H12N4O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine
PubChem CID146316041
Molecular FormulaC18H12N4O2
Molecular Weight316.32 g/mol
Exact Mass316.10
IUPAC Name3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine
SMILESc1cc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)ccn1
InChIInChI=1S/C18H12N4O2/c1-2-16-17(24-11-23-16)7-13(1)15-8-21-18-9-20-14(10-22(15)18)12-3-5-19-6-4-12/h1-10H,11H2
InChIKeyQOCKOIXUGDXSCR-UHFFFAOYSA-N
XLogP3.19
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]aniline
CID 155550651
3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 146315974
3-(1,3-benzodioxol-5-yl)-8-chloroimidazo[1,2-a]pyridine
CID 103095105
4-(1,3-benzodioxol-5-yl)-2-phenylpyridine
CID 11623230
3-(2,3-dihydro-1-benzofuran-5-yl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 162668330
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
4-(1,3-benzodioxol-5-yl)pyridin-2-amine
CID 50951571
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine
CID 113428335
[3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
CID 135316044
6-phenyl-3-thiophen-3-ylimidazo[1,2-a]pyrazine
CID 126673283
3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470014
(4-aminopiperidin-1-yl)-[4-(3-isoquinolin-6-ylimidazo[1,2-a]pyrazin-6-yl)phenyl]methanone
CID 164616357

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine (CID 146316041) is 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine is c1cc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)ccn1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine?
The InChIKey is QOCKOIXUGDXSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O2/c1-2-16-17(24-11-23-16)7-13(1)15-8-21-18-9-20-14(10-22(15)18)12-3-5-19-6-4-12/h1-10H,11H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine?
3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine has a molecular weight of 316.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 146316041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).