6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde

C10H9BrN4O — CID 58314014

IUPAC6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde
SMILESO=Cc1cnc2c(NC3CC3)nc(Br)cn12
InChIInChI=1S/C10H9BrN4O/c11-8-4-15-7(5-16)3-12-10(15)9(14-8)13-6-1-2-6/h3-6H,1-2H2,(H,13,14)
InChIKeyUTDSYXDUDSFSKH-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.88
Rot. Bonds3

About 6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde

6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde (PubChem CID 58314014) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde.

Molecular Properties

Compound Name6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde
PubChem CID58314014
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde
SMILESO=Cc1cnc2c(NC3CC3)nc(Br)cn12
InChIInChI=1S/C10H9BrN4O/c11-8-4-15-7(5-16)3-12-10(15)9(14-8)13-6-1-2-6/h3-6H,1-2H2,(H,13,14)
InChIKeyUTDSYXDUDSFSKH-UHFFFAOYSA-N
XLogP1.88
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde?
The IUPAC name of 6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde (CID 58314014) is 6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde.
What is the SMILES notation for 6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde?
The canonical SMILES for 6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde is O=Cc1cnc2c(NC3CC3)nc(Br)cn12.
What is the InChIKey of 6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde?
The InChIKey is UTDSYXDUDSFSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c11-8-4-15-7(5-16)3-12-10(15)9(14-8)13-6-1-2-6/h3-6H,1-2H2,(H,13,14).
What are the key properties of 6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde?
6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde has a molecular weight of 281.11 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(cyclopropylamino)imidazo[1,2-a]pyrazine-3-carbaldehyde is sourced from PubChem (CID 58314014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).