8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol

C15H21N5O — CID 80819224

IUPAC8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCNc1cn2ccnc2c(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C15H21N5O/c1-2-16-13-9-19-6-5-17-14(19)15(18-13)20-10-3-4-11(20)8-12(21)7-10/h5-6,9-12,16,21H,2-4,7-8H2,1H3
InChIKeyKVCSTOCYLSGXBM-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.65
Rot. Bonds3

About 8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol

8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80819224) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80819224
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCNc1cn2ccnc2c(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C15H21N5O/c1-2-16-13-9-19-6-5-17-14(19)15(18-13)20-10-3-4-11(20)8-12(21)7-10/h5-6,9-12,16,21H,2-4,7-8H2,1H3
InChIKeyKVCSTOCYLSGXBM-UHFFFAOYSA-N
XLogP1.65
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 80819224) is 8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol is CCNc1cn2ccnc2c(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is KVCSTOCYLSGXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-16-13-9-19-6-5-17-14(19)15(18-13)20-10-3-4-11(20)8-12(21)7-10/h5-6,9-12,16,21H,2-4,7-8H2,1H3.
What are the key properties of 8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 287.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80819224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).