N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline

C23H21N7S — CID 54767088

IUPACN-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NCc1nc(-c2ccc3ncnn3c2)c(-c2cccc(C)n2)[nH]1
InChIInChI=1S/C23H21N7S/c1-15-6-5-8-18(27-15)23-22(16-10-11-21-25-14-26-30(21)13-16)28-20(29-23)12-24-17-7-3-4-9-19(17)31-2/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
InChIKeyXCZVLCKUZLMMGF-UHFFFAOYSA-N
MW427.54 g/mol
LogP4.82
Rot. Bonds6

About N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline

N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline (PubChem CID 54767088) has the molecular formula C23H21N7S and a molecular weight of 427.54 g/mol. Its IUPAC name is N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline
PubChem CID54767088
Molecular FormulaC23H21N7S
Molecular Weight427.54 g/mol
Exact Mass427.16
IUPAC NameN-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline
SMILESCSc1ccccc1NCc1nc(-c2ccc3ncnn3c2)c(-c2cccc(C)n2)[nH]1
InChIInChI=1S/C23H21N7S/c1-15-6-5-8-18(27-15)23-22(16-10-11-21-25-14-26-30(21)13-16)28-20(29-23)12-24-17-7-3-4-9-19(17)31-2/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
InChIKeyXCZVLCKUZLMMGF-UHFFFAOYSA-N
XLogP4.82
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline?
The IUPAC name of N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline (CID 54767088) is N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline.
What is the SMILES notation for N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline?
The canonical SMILES for N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline is CSc1ccccc1NCc1nc(-c2ccc3ncnn3c2)c(-c2cccc(C)n2)[nH]1.
What is the InChIKey of N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline?
The InChIKey is XCZVLCKUZLMMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7S/c1-15-6-5-8-18(27-15)23-22(16-10-11-21-25-14-26-30(21)13-16)28-20(29-23)12-24-17-7-3-4-9-19(17)31-2/h3-11,13-14,24H,12H2,1-2H3,(H,28,29).
What are the key properties of N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline?
N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline has a molecular weight of 427.54 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline is sourced from PubChem (CID 54767088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).