2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol

C21H24N6O — CID 154677185

IUPAC2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol
SMILESOc1cc(-n2ccnc2)ccc1-c1cnc(NCC2CC3CCC(C2)N3)cn1
InChIInChI=1S/C21H24N6O/c28-20-9-17(27-6-5-22-13-27)3-4-18(20)19-11-25-21(12-23-19)24-10-14-7-15-1-2-16(8-14)26-15/h3-6,9,11-16,26,28H,1-2,7-8,10H2,(H,24,25)
InChIKeyVIGHQIXSTPVZHT-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.98
Rot. Bonds5

About 2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol

2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol (PubChem CID 154677185) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol
PubChem CID154677185
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol
SMILESOc1cc(-n2ccnc2)ccc1-c1cnc(NCC2CC3CCC(C2)N3)cn1
InChIInChI=1S/C21H24N6O/c28-20-9-17(27-6-5-22-13-27)3-4-18(20)19-11-25-21(12-23-19)24-10-14-7-15-1-2-16(8-14)26-15/h3-6,9,11-16,26,28H,1-2,7-8,10H2,(H,24,25)
InChIKeyVIGHQIXSTPVZHT-UHFFFAOYSA-N
XLogP2.98
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol?
The IUPAC name of 2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol (CID 154677185) is 2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol?
The canonical SMILES for 2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol is Oc1cc(-n2ccnc2)ccc1-c1cnc(NCC2CC3CCC(C2)N3)cn1.
What is the InChIKey of 2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol?
The InChIKey is VIGHQIXSTPVZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-20-9-17(27-6-5-22-13-27)3-4-18(20)19-11-25-21(12-23-19)24-10-14-7-15-1-2-16(8-14)26-15/h3-6,9,11-16,26,28H,1-2,7-8,10H2,(H,24,25).
What are the key properties of 2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol?
2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol has a molecular weight of 376.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(8-azabicyclo[3.2.1]octan-3-ylmethylamino)pyrazin-2-yl]-5-imidazol-1-ylphenol is sourced from PubChem (CID 154677185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).