3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine

C12H9Br2N5 — CID 20814323

IUPAC3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESBrc1cn2c(Br)cnc2c(NCc2cccnc2)n1
InChIInChI=1S/C12H9Br2N5/c13-9-7-19-10(14)6-17-12(19)11(18-9)16-5-8-2-1-3-15-4-8/h1-4,6-7H,5H2,(H,16,18)
InChIKeyWRUHYHILALSVJY-UHFFFAOYSA-N
MW383.05 g/mol
LogP3.26
Rot. Bonds3

About 3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine

3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 20814323) has the molecular formula C12H9Br2N5 and a molecular weight of 383.05 g/mol. Its IUPAC name is 3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID20814323
Molecular FormulaC12H9Br2N5
Molecular Weight383.05 g/mol
Exact Mass380.92
IUPAC Name3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESBrc1cn2c(Br)cnc2c(NCc2cccnc2)n1
InChIInChI=1S/C12H9Br2N5/c13-9-7-19-10(14)6-17-12(19)11(18-9)16-5-8-2-1-3-15-4-8/h1-4,6-7H,5H2,(H,16,18)
InChIKeyWRUHYHILALSVJY-UHFFFAOYSA-N
XLogP3.26
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.05
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-9-(pyridin-3-ylmethylamino)pyrazino[1,2-a]pyrimidin-4-one
CID 146673900
3-bromo-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10091097
ethyl 4-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl]piperidine-1-carboxylate
CID 11385612
3-bromo-6-phenyl-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 10452345
3-benzyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 142876884
3,6-dibromo-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 14207597
6-phenyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 59263750
6-phenyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 10452536
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 87529176
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
[1-[3-bromo-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]piperidin-2-yl]methanol
CID 10476985
6-N-ethyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80773393

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine (CID 20814323) is 3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine is Brc1cn2c(Br)cnc2c(NCc2cccnc2)n1.
What is the InChIKey of 3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is WRUHYHILALSVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N5/c13-9-7-19-10(14)6-17-12(19)11(18-9)16-5-8-2-1-3-15-4-8/h1-4,6-7H,5H2,(H,16,18).
What are the key properties of 3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine?
3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 383.05 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 20814323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).