N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine

C20H15BrN4O3 — CID 53211014

IUPACN-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCOc1ccc(-c2nc3cnc(Br)cn3c2Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H15BrN4O3/c1-26-14-5-2-12(3-6-14)19-20(25-10-17(21)22-9-18(25)24-19)23-13-4-7-15-16(8-13)28-11-27-15/h2-10,23H,11H2,1H3
InChIKeyHJXJYEOVMLZEQB-UHFFFAOYSA-N
MW439.27 g/mol
LogP4.64
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine

N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 53211014) has the molecular formula C20H15BrN4O3 and a molecular weight of 439.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID53211014
Molecular FormulaC20H15BrN4O3
Molecular Weight439.27 g/mol
Exact Mass438.03
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESCOc1ccc(-c2nc3cnc(Br)cn3c2Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H15BrN4O3/c1-26-14-5-2-12(3-6-14)19-20(25-10-17(21)22-9-18(25)24-19)23-13-4-7-15-16(8-13)28-11-27-15/h2-10,23H,11H2,1H3
InChIKeyHJXJYEOVMLZEQB-UHFFFAOYSA-N
XLogP4.64
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 7338736
methyl 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53003281
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 7299187
4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135482448
N-(1,3-benzodioxol-5-yl)-6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 122174795
N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 15995780
6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 7338761
[4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium
CID 123546918
N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 5306720
5-(1,3-benzodioxol-5-ylamino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
CID 2372875
2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 7064838
N,2-bis(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 58564445

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine (CID 53211014) is N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine is COc1ccc(-c2nc3cnc(Br)cn3c2Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is HJXJYEOVMLZEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O3/c1-26-14-5-2-12(3-6-14)19-20(25-10-17(21)22-9-18(25)24-19)23-13-4-7-15-16(8-13)28-11-27-15/h2-10,23H,11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine?
N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 439.27 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 53211014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).