3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine

C21H25BrClN5 — CID 20814338

IUPAC3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCC1CCCCN1CCCNc1nc(-c2ccccc2Cl)cn2c(Br)cnc12
InChIInChI=1S/C21H25BrClN5/c1-15-7-4-5-11-27(15)12-6-10-24-20-21-25-13-19(22)28(21)14-18(26-20)16-8-2-3-9-17(16)23/h2-3,8-9,13-15H,4-7,10-12H2,1H3,(H,24,26)
InChIKeyAIODBEDGPUOWSR-UHFFFAOYSA-N
MW462.82 g/mol
LogP5.49
Rot. Bonds6

About 3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine

3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 20814338) has the molecular formula C21H25BrClN5 and a molecular weight of 462.82 g/mol. Its IUPAC name is 3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID20814338
Molecular FormulaC21H25BrClN5
Molecular Weight462.82 g/mol
Exact Mass461.10
IUPAC Name3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCC1CCCCN1CCCNc1nc(-c2ccccc2Cl)cn2c(Br)cnc12
InChIInChI=1S/C21H25BrClN5/c1-15-7-4-5-11-27(15)12-6-10-24-20-21-25-13-19(22)28(21)14-18(26-20)16-8-2-3-9-17(16)23/h2-3,8-9,13-15H,4-7,10-12H2,1H3,(H,24,26)
InChIKeyAIODBEDGPUOWSR-UHFFFAOYSA-N
XLogP5.49
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.82
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine (CID 20814338) is 3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine is CC1CCCCN1CCCNc1nc(-c2ccccc2Cl)cn2c(Br)cnc12.
What is the InChIKey of 3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is AIODBEDGPUOWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrClN5/c1-15-7-4-5-11-27(15)12-6-10-24-20-21-25-13-19(22)28(21)14-18(26-20)16-8-2-3-9-17(16)23/h2-3,8-9,13-15H,4-7,10-12H2,1H3,(H,24,26).
What are the key properties of 3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine?
3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 462.82 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(2-chlorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 20814338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).