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

C44H34F2N12OS — CID 158204567

IUPAC6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[(2-fluorophenyl)sulfanylmethyl]-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.Cc1cccc(-c2[nH]c(CSc3ccccc3F)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H17FN6O.C22H17FN6S/c2*1-14-5-4-7-17(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*2-11,13H,12H2,1H3,(H,27,28)
InChIKeyGBIMDWMDLOLYBV-UHFFFAOYSA-N
MW816.90 g/mol
LogP9.13
Rot. Bonds10

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-fluorophenyl)sulfanylmethyl]-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;6-[2-[(2-fluorophenyl)sulfanylmethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158204567) has the molecular formula C44H34F2N12OS and a molecular weight of 816.90 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;6-[2-[(2-fluorophenyl)sulfanylmethyl]-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;6-[2-[(2-fluorophenyl)sulfanylmethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID158204567
Molecular FormulaC44H34F2N12OS
Molecular Weight816.90 g/mol
Exact Mass816.27
IUPAC Name6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-[(2-fluorophenyl)sulfanylmethyl]-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.Cc1cccc(-c2[nH]c(CSc3ccccc3F)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H17FN6O.C22H17FN6S/c2*1-14-5-4-7-17(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*2-11,13H,12H2,1H3,(H,27,28)
InChIKeyGBIMDWMDLOLYBV-UHFFFAOYSA-N
XLogP9.13
TPSA152.75 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500816.90
LogP ≤ 59.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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-fluorophenyl)sulfanylmethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

6-[5-(6-methyl-2-pyridinyl)-2-(phenoxymethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 54766018
USRE47141, Example 149
CID 54766019
5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137038094
2,2,2-trifluoro-N-[[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]methyl]-1-pyridin-2-ylethanamine
CID 24759642
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
N-[[5-(6-methylpyridin-2-yl)-4-[2-[[4-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methoxymethyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1H-imidazol-2-yl]methyl]-2-(trifluoromethoxy)aniline
CID 132035366
6-[2-[(2-fluorophenoxy)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-[4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 132035500
3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136937525
3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136937641
3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136944430
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine
CID 136944447
2-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 136944450

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;6-[2-[(2-fluorophenyl)sulfanylmethyl]-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;6-[2-[(2-fluorophenyl)sulfanylmethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 158204567) is 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-fluorophenyl)sulfanylmethyl]-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;6-[2-[(2-fluorophenyl)sulfanylmethyl]-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;6-[2-[(2-fluorophenyl)sulfanylmethyl]-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.Cc1cccc(-c2[nH]c(CSc3ccccc3F)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;6-[2-[(2-fluorophenyl)sulfanylmethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GBIMDWMDLOLYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O.C22H17FN6S/c2*1-14-5-4-7-17(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*2-11,13H,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-fluorophenyl)sulfanylmethyl]-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;6-[2-[(2-fluorophenyl)sulfanylmethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 816.90 g/mol, XLogP of 9.13, 10 rotatable bonds, 2 hydrogen bond donors, and 12 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;6-[2-[(2-fluorophenyl)sulfanylmethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158204567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).