[1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol

C13H17BrN4O — CID 79165917

IUPAC[1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2cnc3cnc(Br)cn23)CCCC1
InChIInChI=1S/C13H17BrN4O/c14-11-8-18-10(5-16-12(18)7-15-11)6-17-13(9-19)3-1-2-4-13/h5,7-8,17,19H,1-4,6,9H2
InChIKeyCKJWOOMZWDJZCX-UHFFFAOYSA-N
MW325.21 g/mol
LogP1.89
Rot. Bonds4

About [1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol

[1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol (PubChem CID 79165917) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is [1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol
PubChem CID79165917
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name[1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2cnc3cnc(Br)cn23)CCCC1
InChIInChI=1S/C13H17BrN4O/c14-11-8-18-10(5-16-12(18)7-15-11)6-17-13(9-19)3-1-2-4-13/h5,7-8,17,19H,1-4,6,9H2
InChIKeyCKJWOOMZWDJZCX-UHFFFAOYSA-N
XLogP1.89
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[2-(Dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclopentyl]methanol
CID 64011977
2-(Imidazo[1,2-a]pyrazin-3-ylmethylamino)cyclohexan-1-ol
CID 72107385
3-[(6-Bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclohexan-1-ol
CID 79163923
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-4-methylpentan-1-amine
CID 79163928
2-[(6-Bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,3-diol
CID 79163945
1-[(6-Bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2,4-dimethylpentan-2-ol
CID 79163946
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 79164150
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-methylcyclopentan-1-amine
CID 79164151
3-[(6-Bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]propane-1,2-diol
CID 79164166
2-[(6-Bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-1-cyclopropylethanol
CID 79164369
2-[[(6-Bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 79164569
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(oxan-2-yl)methanamine
CID 79164801

Frequently Asked Questions

What is the IUPAC name of [1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol (CID 79165917) is [1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol is OCC1(NCc2cnc3cnc(Br)cn23)CCCC1.
What is the InChIKey of [1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol?
The InChIKey is CKJWOOMZWDJZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c14-11-8-18-10(5-16-12(18)7-15-11)6-17-13(9-19)3-1-2-4-13/h5,7-8,17,19H,1-4,6,9H2.
What are the key properties of [1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol?
[1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol has a molecular weight of 325.21 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 79165917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).