(1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol

C14H16BrN3O — CID 63371929

IUPAC(1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CCn3ccnc3C2)c(Br)c1
InChIInChI=1S/C14H16BrN3O/c1-10(19)11-2-3-13(12(15)8-11)18-7-6-17-5-4-16-14(17)9-18/h2-5,8,10,19H,6-7,9H2,1H3/t10-/m1/s1
InChIKeyPXWBJXBXPMDOPF-SNVBAGLBSA-N
MW322.21 g/mol
LogP2.72
Rot. Bonds2

About (1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol

(1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol (PubChem CID 63371929) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol
PubChem CID63371929
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name(1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(N2CCn3ccnc3C2)c(Br)c1
InChIInChI=1S/C14H16BrN3O/c1-10(19)11-2-3-13(12(15)8-11)18-7-6-17-5-4-16-14(17)9-18/h2-5,8,10,19H,6-7,9H2,1H3/t10-/m1/s1
InChIKeyPXWBJXBXPMDOPF-SNVBAGLBSA-N
XLogP2.72
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol (CID 63371929) is (1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol is C[C@@H](O)c1ccc(N2CCn3ccnc3C2)c(Br)c1.
What is the InChIKey of (1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol?
The InChIKey is PXWBJXBXPMDOPF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-10(19)11-2-3-13(12(15)8-11)18-7-6-17-5-4-16-14(17)9-18/h2-5,8,10,19H,6-7,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol?
(1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol has a molecular weight of 322.21 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol is sourced from PubChem (CID 63371929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).