(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine

C14H14BrN5 — CID 81407048

IUPAC(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@H](NCc1cnc2cnc(Br)cn12)c1cccnc1
InChIInChI=1S/C14H14BrN5/c1-10(11-3-2-4-16-5-11)17-6-12-7-19-14-8-18-13(15)9-20(12)14/h2-5,7-10,17H,6H2,1H3/t10-/m0/s1
InChIKeyQCBUSRAZTJVVIU-JTQLQIEISA-N
MW332.21 g/mol
LogP2.74
Rot. Bonds4

About (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine

(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine (PubChem CID 81407048) has the molecular formula C14H14BrN5 and a molecular weight of 332.21 g/mol. Its IUPAC name is (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine
PubChem CID81407048
Molecular FormulaC14H14BrN5
Molecular Weight332.21 g/mol
Exact Mass331.04
IUPAC Name(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine
SMILESC[C@H](NCc1cnc2cnc(Br)cn12)c1cccnc1
InChIInChI=1S/C14H14BrN5/c1-10(11-3-2-4-16-5-11)17-6-12-7-19-14-8-18-13(15)9-20(12)14/h2-5,7-10,17H,6H2,1H3/t10-/m0/s1
InChIKeyQCBUSRAZTJVVIU-JTQLQIEISA-N
XLogP2.74
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81350644
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 79165689
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 79164568
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 79165899
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]butan-1-ol
CID 83176314
2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945103
2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-diethylpropane-1,2-diamine
CID 79166678
(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 79479907
N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine
CID 115692975
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
(1S)-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-3-ylethanamine
CID 78951012
(1S)-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethanamine
CID 28669732

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine (CID 81407048) is (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine is C[C@H](NCc1cnc2cnc(Br)cn12)c1cccnc1.
What is the InChIKey of (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine?
The InChIKey is QCBUSRAZTJVVIU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14BrN5/c1-10(11-3-2-4-16-5-11)17-6-12-7-19-14-8-18-13(15)9-20(12)14/h2-5,7-10,17H,6H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine?
(1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine has a molecular weight of 332.21 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 81407048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).