[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol

C21H19N7O2 — CID 129254246

IUPAC[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol
SMILESNc1nc2cc(-c3ccc4ncc(C(O)N5CCn6cncc6C5)n4c3)ccc2o1
InChIInChI=1S/C21H19N7O2/c22-21-25-16-7-13(1-3-18(16)30-21)14-2-4-19-24-9-17(28(19)10-14)20(29)26-5-6-27-12-23-8-15(27)11-26/h1-4,7-10,12,20,29H,5-6,11H2,(H2,22,25)
InChIKeyJETPHEWBEMFZHE-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.43
Rot. Bonds3

About [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol (PubChem CID 129254246) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol.

Molecular Properties

Compound Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol
PubChem CID129254246
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol
SMILESNc1nc2cc(-c3ccc4ncc(C(O)N5CCn6cncc6C5)n4c3)ccc2o1
InChIInChI=1S/C21H19N7O2/c22-21-25-16-7-13(1-3-18(16)30-21)14-2-4-19-24-9-17(28(19)10-14)20(29)26-5-6-27-12-23-8-15(27)11-26/h1-4,7-10,12,20,29H,5-6,11H2,(H2,22,25)
InChIKeyJETPHEWBEMFZHE-UHFFFAOYSA-N
XLogP2.43
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol?
The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol (CID 129254246) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol.
What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol?
The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol is Nc1nc2cc(-c3ccc4ncc(C(O)N5CCn6cncc6C5)n4c3)ccc2o1.
What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol?
The InChIKey is JETPHEWBEMFZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c22-21-25-16-7-13(1-3-18(16)30-21)14-2-4-19-24-9-17(28(19)10-14)20(29)26-5-6-27-12-23-8-15(27)11-26/h1-4,7-10,12,20,29H,5-6,11H2,(H2,22,25).
What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol?
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol has a molecular weight of 401.43 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methanol is sourced from PubChem (CID 129254246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).