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

C12H11BrN4O — CID 63026450

IUPAC(5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESO=C(c1cncc(Br)c1)N1CCn2ccnc2C1
InChIInChI=1S/C12H11BrN4O/c13-10-5-9(6-14-7-10)12(18)17-4-3-16-2-1-15-11(16)8-17/h1-2,5-7H,3-4,8H2
InChIKeyWCOBJBFUDUWNPL-UHFFFAOYSA-N
MW307.15 g/mol
LogP1.70
Rot. Bonds1

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

(5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (PubChem CID 63026450) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
PubChem CID63026450
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name(5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
SMILESO=C(c1cncc(Br)c1)N1CCn2ccnc2C1
InChIInChI=1S/C12H11BrN4O/c13-10-5-9(6-14-7-10)12(18)17-4-3-16-2-1-15-11(16)8-17/h1-2,5-7H,3-4,8H2
InChIKeyWCOBJBFUDUWNPL-UHFFFAOYSA-N
XLogP1.70
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 51.70
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-(3,5-dihydroxyphenyl)methanone
CID 104939006
(4-bromo-3-chlorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 81002855
(2,6-dichloro-4-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63015031
(2,4-dibromophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 103882843
(4-bromo-2-fluorophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63025085
(3-bromo-4-methoxyphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63025771
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(3,4-dimethoxyphenyl)methanone
CID 110712619
(5-bromofuran-2-yl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 55143260
(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669648
(2-aminophenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63015477
N-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)phenyl]acetamide
CID 110741996
(5-bromo-3-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62229980

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone (CID 63026450) is (5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is O=C(c1cncc(Br)c1)N1CCn2ccnc2C1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
The InChIKey is WCOBJBFUDUWNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c13-10-5-9(6-14-7-10)12(18)17-4-3-16-2-1-15-11(16)8-17/h1-2,5-7H,3-4,8H2.
What are the key properties of (5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone?
(5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone has a molecular weight of 307.15 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 63026450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).