5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine

C19H22BrN5O — CID 87275268

IUPAC5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCC(Oc1ccc(Nc2ncc(Br)n3ccnc23)cc1)C1CCNCC1
InChIInChI=1S/C19H22BrN5O/c1-13(14-6-8-21-9-7-14)26-16-4-2-15(3-5-16)24-18-19-22-10-11-25(19)17(20)12-23-18/h2-5,10-14,21H,6-9H2,1H3,(H,23,24)
InChIKeyVZAJLNZDHVCUHI-UHFFFAOYSA-N
MW416.32 g/mol
LogP4.00
Rot. Bonds5

About 5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine

5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 87275268) has the molecular formula C19H22BrN5O and a molecular weight of 416.32 g/mol. Its IUPAC name is 5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID87275268
Molecular FormulaC19H22BrN5O
Molecular Weight416.32 g/mol
Exact Mass415.10
IUPAC Name5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCC(Oc1ccc(Nc2ncc(Br)n3ccnc23)cc1)C1CCNCC1
InChIInChI=1S/C19H22BrN5O/c1-13(14-6-8-21-9-7-14)26-16-4-2-15(3-5-16)24-18-19-22-10-11-25(19)17(20)12-23-18/h2-5,10-14,21H,6-9H2,1H3,(H,23,24)
InChIKeyVZAJLNZDHVCUHI-UHFFFAOYSA-N
XLogP4.00
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 87275268) is 5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine is CC(Oc1ccc(Nc2ncc(Br)n3ccnc23)cc1)C1CCNCC1.
What is the InChIKey of 5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is VZAJLNZDHVCUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O/c1-13(14-6-8-21-9-7-14)26-16-4-2-15(3-5-16)24-18-19-22-10-11-25(19)17(20)12-23-18/h2-5,10-14,21H,6-9H2,1H3,(H,23,24).
What are the key properties of 5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 416.32 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(1-piperidin-4-ylethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 87275268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).