2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine

C18H13F2N5O — CID 122520400

IUPAC2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine
SMILESCc1cc(F)ccc1-c1cnc2nc(COc3cccc(F)n3)cn2n1
InChIInChI=1S/C18H13F2N5O/c1-11-7-12(19)5-6-14(11)15-8-21-18-22-13(9-25(18)24-15)10-26-17-4-2-3-16(20)23-17/h2-9H,10H2,1H3
InChIKeyPGFWKSABRWGQIM-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.35
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine

2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine (PubChem CID 122520400) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine
PubChem CID122520400
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC Name2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine
SMILESCc1cc(F)ccc1-c1cnc2nc(COc3cccc(F)n3)cn2n1
InChIInChI=1S/C18H13F2N5O/c1-11-7-12(19)5-6-14(11)15-8-21-18-22-13(9-25(18)24-15)10-26-17-4-2-3-16(20)23-17/h2-9H,10H2,1H3
InChIKeyPGFWKSABRWGQIM-UHFFFAOYSA-N
XLogP3.35
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
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-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine (CID 122520400) is 2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine is Cc1cc(F)ccc1-c1cnc2nc(COc3cccc(F)n3)cn2n1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine?
The InChIKey is PGFWKSABRWGQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c1-11-7-12(19)5-6-14(11)15-8-21-18-22-13(9-25(18)24-15)10-26-17-4-2-3-16(20)23-17/h2-9H,10H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine?
2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine has a molecular weight of 353.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 122520400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).