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

C23H21N7S — CID 54767245

IUPACN-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-4-methylsulfanylaniline
SMILESCSc1ccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)cc1
InChIInChI=1S/C23H21N7S/c1-15-4-3-5-19(27-15)23-22(16-6-11-21-25-14-26-30(21)13-16)28-20(29-23)12-24-17-7-9-18(31-2)10-8-17/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
InChIKeyWZLHVOLGIMEYJC-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]-4-methylsulfanylaniline

N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-4-methylsulfanylaniline (PubChem CID 54767245) 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]-4-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]-4-methylsulfanylaniline
PubChem CID54767245
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]-4-methylsulfanylaniline
SMILESCSc1ccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)cc1
InChIInChI=1S/C23H21N7S/c1-15-4-3-5-19(27-15)23-22(16-6-11-21-25-14-26-30(21)13-16)28-20(29-23)12-24-17-7-9-18(31-2)10-8-17/h3-11,13-14,24H,12H2,1-2H3,(H,28,29)
InChIKeyWZLHVOLGIMEYJC-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]-4-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]-4-methylsulfanylaniline (CID 54767245) is N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-4-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]-4-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]-4-methylsulfanylaniline is CSc1ccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)cc1.
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]-4-methylsulfanylaniline?
The InChIKey is WZLHVOLGIMEYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7S/c1-15-4-3-5-19(27-15)23-22(16-6-11-21-25-14-26-30(21)13-16)28-20(29-23)12-24-17-7-9-18(31-2)10-8-17/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]-4-methylsulfanylaniline?
N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-4-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]-4-methylsulfanylaniline is sourced from PubChem (CID 54767245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).