4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol

C19H14N4O3 — CID 135482448

IUPAC4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESOc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H14N4O3/c24-14-4-1-12(2-5-14)18-19(23-8-7-20-10-17(23)22-18)21-13-3-6-15-16(9-13)26-11-25-15/h1-10,21,24H,11H2
InChIKeyMGUBUJMMINLWPW-UHFFFAOYSA-N
MW346.35 g/mol
LogP3.57
Rot. Bonds3

About 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol

4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol (PubChem CID 135482448) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
PubChem CID135482448
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESOc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H14N4O3/c24-14-4-1-12(2-5-14)18-19(23-8-7-20-10-17(23)22-18)21-13-3-6-15-16(9-13)26-11-25-15/h1-10,21,24H,11H2
InChIKeyMGUBUJMMINLWPW-UHFFFAOYSA-N
XLogP3.57
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 7299187
methyl 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53003281
4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 7338736
N-(1,3-benzodioxol-5-yl)-6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 122174795
[4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium
CID 123546918
N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 53211014
N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 15995780
2-(4-aminophenyl)-N-(2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine
CID 141165893
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 5306720
2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 7064838
3-[3-(3,5-dimethylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 53208182
4-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
CID 53003283

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The IUPAC name of 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol (CID 135482448) is 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol.
What is the SMILES notation for 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The canonical SMILES for 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol is Oc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The InChIKey is MGUBUJMMINLWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3/c24-14-4-1-12(2-5-14)18-19(23-8-7-20-10-17(23)22-18)21-13-3-6-15-16(9-13)26-11-25-15/h1-10,21,24H,11H2.
What are the key properties of 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol?
4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol has a molecular weight of 346.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol is sourced from PubChem (CID 135482448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).