N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine

C20H16N4O2 — CID 3238941

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine
SMILESc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H16N4O2/c1-2-4-14(5-3-1)19-20(24-9-8-21-13-18(24)23-19)22-15-6-7-16-17(12-15)26-11-10-25-16/h1-9,12-13,22H,10-11H2
InChIKeyXUAIAVQVWWCYEQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.91
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine (PubChem CID 3238941) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine
PubChem CID3238941
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine
SMILESc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H16N4O2/c1-2-4-14(5-3-1)19-20(24-9-8-21-13-18(24)23-19)22-15-6-7-16-17(12-15)26-11-10-25-16/h1-9,12-13,22H,10-11H2
InChIKeyXUAIAVQVWWCYEQ-UHFFFAOYSA-N
XLogP3.91
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine (CID 3238941) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine is c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine?
The InChIKey is XUAIAVQVWWCYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-2-4-14(5-3-1)19-20(24-9-8-21-13-18(24)23-19)22-15-6-7-16-17(12-15)26-11-10-25-16/h1-9,12-13,22H,10-11H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine has a molecular weight of 344.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylimidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 3238941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).