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

C17H10F3N5O — CID 122506750

IUPAC2-(2,4-difluorophenyl)-6-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine
SMILESFc1ccc(-c2cnc3nc(COc4ccnc(F)c4)cn3n2)c(F)c1
InChIInChI=1S/C17H10F3N5O/c18-10-1-2-13(14(19)5-10)15-7-22-17-23-11(8-25(17)24-15)9-26-12-3-4-21-16(20)6-12/h1-8H,9H2
InChIKeyVRDYQASBTHFWTR-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.18
Rot. Bonds4

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

2-(2,4-difluorophenyl)-6-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine (PubChem CID 122506750) has the molecular formula C17H10F3N5O and a molecular weight of 357.30 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-6-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-6-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine
PubChem CID122506750
Molecular FormulaC17H10F3N5O
Molecular Weight357.30 g/mol
Exact Mass357.08
IUPAC Name2-(2,4-difluorophenyl)-6-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine
SMILESFc1ccc(-c2cnc3nc(COc4ccnc(F)c4)cn3n2)c(F)c1
InChIInChI=1S/C17H10F3N5O/c18-10-1-2-13(14(19)5-10)15-7-22-17-23-11(8-25(17)24-15)9-26-12-3-4-21-16(20)6-12/h1-8H,9H2
InChIKeyVRDYQASBTHFWTR-UHFFFAOYSA-N
XLogP3.18
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.18
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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Related Compounds

6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
CID 122506657
2-(4-fluoro-2-methylphenyl)-6-[(6-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine
CID 122520400
6-(2,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 141272180
4-(2,4-difluorophenyl)-1-ethylimidazole
CID 141121326
2-(2,4-difluorophenyl)-6-fluoro-4-(1H-imidazol-2-ylmethoxy)pyridine
CID 172862200
6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 122506754
6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
CID 122506719
6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
CID 122506561
[5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate
CID 122506560
6-(2,4-difluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 24831094
6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
CID 122506739
4-(2,4-difluorophenyl)-2-phenylpyrimidine
CID 172796128

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-6-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 2-(2,4-difluorophenyl)-6-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine (CID 122506750) is 2-(2,4-difluorophenyl)-6-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-6-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 2-(2,4-difluorophenyl)-6-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine is Fc1ccc(-c2cnc3nc(COc4ccnc(F)c4)cn3n2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-6-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine?
The InChIKey is VRDYQASBTHFWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5O/c18-10-1-2-13(14(19)5-10)15-7-22-17-23-11(8-25(17)24-15)9-26-12-3-4-21-16(20)6-12/h1-8H,9H2.
What are the key properties of 2-(2,4-difluorophenyl)-6-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine?
2-(2,4-difluorophenyl)-6-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine has a molecular weight of 357.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-6-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 122506750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).