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

C22H18N6S — CID 54766171

IUPAC6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc(-c2[nH]c(CSc3ccccc3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H18N6S/c1-15-6-5-9-18(25-15)22-21(16-10-11-20-23-14-24-28(20)12-16)26-19(27-22)13-29-17-7-3-2-4-8-17/h2-12,14H,13H2,1H3,(H,26,27)
InChIKeyBBJVIVDHNWVMFY-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.78
Rot. Bonds5

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

6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 54766171) has the molecular formula C22H18N6S and a molecular weight of 398.50 g/mol. Its IUPAC name is 6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID54766171
Molecular FormulaC22H18N6S
Molecular Weight398.50 g/mol
Exact Mass398.13
IUPAC Name6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cccc(-c2[nH]c(CSc3ccccc3)nc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C22H18N6S/c1-15-6-5-9-18(25-15)22-21(16-10-11-20-23-14-24-28(20)12-16)26-19(27-22)13-29-17-7-3-2-4-8-17/h2-12,14H,13H2,1H3,(H,26,27)
InChIKeyBBJVIVDHNWVMFY-UHFFFAOYSA-N
XLogP4.78
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 54766171) is 6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cccc(-c2[nH]c(CSc3ccccc3)nc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BBJVIVDHNWVMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6S/c1-15-6-5-9-18(25-15)22-21(16-10-11-20-23-14-24-28(20)12-16)26-19(27-22)13-29-17-7-3-2-4-8-17/h2-12,14H,13H2,1H3,(H,26,27).
What are the key properties of 6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?
6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 398.50 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 54766171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).