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

C13H16BrN5 — CID 63026864

IUPAC1-[5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1N1CCn2ccnc2C1
InChIInChI=1S/C13H16BrN5/c1-15-7-10-6-11(14)8-17-13(10)19-5-4-18-3-2-16-12(18)9-19/h2-3,6,8,15H,4-5,7,9H2,1H3
InChIKeyJRGSAPILSSYWSJ-UHFFFAOYSA-N
MW322.21 g/mol
LogP1.78
Rot. Bonds3

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

1-[5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 63026864) has the molecular formula C13H16BrN5 and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-[5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]-N-methylmethanamine
PubChem CID63026864
Molecular FormulaC13H16BrN5
Molecular Weight322.21 g/mol
Exact Mass321.06
IUPAC Name1-[5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1N1CCn2ccnc2C1
InChIInChI=1S/C13H16BrN5/c1-15-7-10-6-11(14)8-17-13(10)19-5-4-18-3-2-16-12(18)9-19/h2-3,6,8,15H,4-5,7,9H2,1H3
InChIKeyJRGSAPILSSYWSJ-UHFFFAOYSA-N
XLogP1.78
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]-N-methylmethanamine (CID 63026864) is 1-[5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]-N-methylmethanamine is CNCc1cc(Br)cnc1N1CCn2ccnc2C1.
What is the InChIKey of 1-[5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is JRGSAPILSSYWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5/c1-15-7-10-6-11(14)8-17-13(10)19-5-4-18-3-2-16-12(18)9-19/h2-3,6,8,15H,4-5,7,9H2,1H3.
What are the key properties of 1-[5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]-N-methylmethanamine?
1-[5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 322.21 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 63026864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).