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

C17H13N5O2 — CID 155556611

IUPAC6-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine
SMILESCn1cc(-c2cnc3cnc(-c4ccc5c(c4)OCO5)cn23)cn1
InChIInChI=1S/C17H13N5O2/c1-21-8-12(5-20-21)14-6-19-17-7-18-13(9-22(14)17)11-2-3-15-16(4-11)24-10-23-15/h2-9H,10H2,1H3
InChIKeyVOBIYVKYPXBLHI-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.53
Rot. Bonds2

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

6-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine (PubChem CID 155556611) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine
PubChem CID155556611
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name6-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine
SMILESCn1cc(-c2cnc3cnc(-c4ccc5c(c4)OCO5)cn23)cn1
InChIInChI=1S/C17H13N5O2/c1-21-8-12(5-20-21)14-6-19-17-7-18-13(9-22(14)17)11-2-3-15-16(4-11)24-10-23-15/h2-9H,10H2,1H3
InChIKeyVOBIYVKYPXBLHI-UHFFFAOYSA-N
XLogP2.53
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine (CID 155556611) is 6-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine is Cn1cc(-c2cnc3cnc(-c4ccc5c(c4)OCO5)cn23)cn1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine?
The InChIKey is VOBIYVKYPXBLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-21-8-12(5-20-21)14-6-19-17-7-18-13(9-22(14)17)11-2-3-15-16(4-11)24-10-23-15/h2-9H,10H2,1H3.
What are the key properties of 6-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine?
6-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine has a molecular weight of 319.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 155556611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).