6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

C22H17FN6O — CID 54766019

IUPAC6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc(-c2[nH]c(COc3ccccc3F)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H17FN6O/c1-14-5-4-7-17(26-14)22-21(15-9-10-20-24-13-25-29(20)11-15)27-19(28-22)12-30-18-8-3-2-6-16(18)23/h2-11,13H,12H2,1H3,(H,27,28)
InChIKeyJNNHWQCWVFYPCS-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.21
Rot. Bonds5

About 6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 54766019) has the molecular formula C22H17FN6O and a molecular weight of 400.42 g/mol. Its IUPAC name is 6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID54766019
Molecular FormulaC22H17FN6O
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC Name6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc(-c2[nH]c(COc3ccccc3F)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H17FN6O/c1-14-5-4-7-17(26-14)22-21(15-9-10-20-24-13-25-29(20)11-15)27-19(28-22)12-30-18-8-3-2-6-16(18)23/h2-11,13H,12H2,1H3,(H,27,28)
InChIKeyJNNHWQCWVFYPCS-UHFFFAOYSA-N
XLogP4.21
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 54766019) is 6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccc(-c2[nH]c(COc3ccccc3F)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JNNHWQCWVFYPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O/c1-14-5-4-7-17(26-14)22-21(15-9-10-20-24-13-25-29(20)11-15)27-19(28-22)12-30-18-8-3-2-6-16(18)23/h2-11,13H,12H2,1H3,(H,27,28).
What are the key properties of 6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 400.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 54766019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).