2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol

C14H19BrN4O — CID 79164569

IUPAC2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H19BrN4O/c15-13-9-19-11(7-18-14(19)8-17-13)6-16-5-10-3-1-2-4-12(10)20/h7-10,12,16,20H,1-6H2
InChIKeyBFZOHXSFSBBFIN-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.13
Rot. Bonds4

About 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol

2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 79164569) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID79164569
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H19BrN4O/c15-13-9-19-11(7-18-14(19)8-17-13)6-16-5-10-3-1-2-4-12(10)20/h7-10,12,16,20H,1-6H2
InChIKeyBFZOHXSFSBBFIN-UHFFFAOYSA-N
XLogP2.13
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol (CID 79164569) is 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol is OC1CCCCC1CNCc1cnc2cnc(Br)cn12.
What is the InChIKey of 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is BFZOHXSFSBBFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c15-13-9-19-11(7-18-14(19)8-17-13)6-16-5-10-3-1-2-4-12(10)20/h7-10,12,16,20H,1-6H2.
What are the key properties of 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol?
2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 339.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79164569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).