2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol

C14H12BrFN4O — CID 170646320

IUPAC2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cn2c(-c3ccc(F)c(Br)n3)cnc2cn1
InChIInChI=1S/C14H12BrFN4O/c1-14(2,21)11-7-20-10(5-18-12(20)6-17-11)9-4-3-8(16)13(15)19-9/h3-7,21H,1-2H3
InChIKeyIVQLKFXPCPGEJF-UHFFFAOYSA-N
MW351.18 g/mol
LogP2.92
Rot. Bonds2

About 2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol

2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol (PubChem CID 170646320) has the molecular formula C14H12BrFN4O and a molecular weight of 351.18 g/mol. Its IUPAC name is 2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
PubChem CID170646320
Molecular FormulaC14H12BrFN4O
Molecular Weight351.18 g/mol
Exact Mass350.02
IUPAC Name2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
SMILESCC(C)(O)c1cn2c(-c3ccc(F)c(Br)n3)cnc2cn1
InChIInChI=1S/C14H12BrFN4O/c1-14(2,21)11-7-20-10(5-18-12(20)6-17-11)9-4-3-8(16)13(15)19-9/h3-7,21H,1-2H3
InChIKeyIVQLKFXPCPGEJF-UHFFFAOYSA-N
XLogP2.92
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?
The IUPAC name of 2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol (CID 170646320) is 2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?
The canonical SMILES for 2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol is CC(C)(O)c1cn2c(-c3ccc(F)c(Br)n3)cnc2cn1.
What is the InChIKey of 2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?
The InChIKey is IVQLKFXPCPGEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4O/c1-14(2,21)11-7-20-10(5-18-12(20)6-17-11)9-4-3-8(16)13(15)19-9/h3-7,21H,1-2H3.
What are the key properties of 2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?
2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol has a molecular weight of 351.18 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-bromo-5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-6-yl]propan-2-ol is sourced from PubChem (CID 170646320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).