2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine

C21H18FN5O2 — CID 129304112

IUPAC2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine
SMILESCOc1cc(OCc2cnc(C)cn2)ccc1-c1cnc(-c2ccc(F)nc2)[nH]1
InChIInChI=1S/C21H18FN5O2/c1-13-8-24-15(10-23-13)12-29-16-4-5-17(19(7-16)28-2)18-11-26-21(27-18)14-3-6-20(22)25-9-14/h3-11H,12H2,1-2H3,(H,26,27)
InChIKeyVWZKYOUNJMOJBT-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.96
Rot. Bonds6

About 2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine

2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine (PubChem CID 129304112) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine
PubChem CID129304112
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine
SMILESCOc1cc(OCc2cnc(C)cn2)ccc1-c1cnc(-c2ccc(F)nc2)[nH]1
InChIInChI=1S/C21H18FN5O2/c1-13-8-24-15(10-23-13)12-29-16-4-5-17(19(7-16)28-2)18-11-26-21(27-18)14-3-6-20(22)25-9-14/h3-11H,12H2,1-2H3,(H,26,27)
InChIKeyVWZKYOUNJMOJBT-UHFFFAOYSA-N
XLogP3.96
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine?
The IUPAC name of 2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine (CID 129304112) is 2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine.
What is the SMILES notation for 2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine?
The canonical SMILES for 2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine is COc1cc(OCc2cnc(C)cn2)ccc1-c1cnc(-c2ccc(F)nc2)[nH]1.
What is the InChIKey of 2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine?
The InChIKey is VWZKYOUNJMOJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-13-8-24-15(10-23-13)12-29-16-4-5-17(19(7-16)28-2)18-11-26-21(27-18)14-3-6-20(22)25-9-14/h3-11H,12H2,1-2H3,(H,26,27).
What are the key properties of 2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine?
2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine has a molecular weight of 391.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(6-fluoro-3-pyridinyl)-1H-imidazol-5-yl]-3-methoxyphenoxy]methyl]-5-methylpyrazine is sourced from PubChem (CID 129304112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).