(3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

C14H14BrN3O2 — CID 63025771

IUPAC(3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESCOc1ccc(C(=O)N2CCn3ccnc3C2)cc1Br
InChIInChI=1S/C14H14BrN3O2/c1-20-12-3-2-10(8-11(12)15)14(19)18-7-6-17-5-4-16-13(17)9-18/h2-5,8H,6-7,9H2,1H3
InChIKeyOOQLBAHFTKFXQP-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.31
Rot. Bonds2

About (3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

(3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (PubChem CID 63025771) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
PubChem CID63025771
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name(3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESCOc1ccc(C(=O)N2CCn3ccnc3C2)cc1Br
InChIInChI=1S/C14H14BrN3O2/c1-20-12-3-2-10(8-11(12)15)14(19)18-7-6-17-5-4-16-13(17)9-18/h2-5,8H,6-7,9H2,1H3
InChIKeyOOQLBAHFTKFXQP-UHFFFAOYSA-N
XLogP2.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,4-dimethoxyphenyl)methanone
CID 110712619
(4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 81002855
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(2-methoxyphenyl)methanone
CID 110712610
1-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 51218725
(5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63026450
(3-bromo-4-methoxyphenyl)-[4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 166229327
1-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110799749
N-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)phenyl]acetamide
CID 110741996
methyl 6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 110712648
(2,6-dichloro-4-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63015031
(3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 60660628
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(2,6-dihydroxyphenyl)methanone
CID 103890482

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (CID 63025771) is (3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is COc1ccc(C(=O)N2CCn3ccnc3C2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The InChIKey is OOQLBAHFTKFXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-20-12-3-2-10(8-11(12)15)14(19)18-7-6-17-5-4-16-13(17)9-18/h2-5,8H,6-7,9H2,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
(3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone has a molecular weight of 336.19 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 63025771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).