6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

C23H16ClN5S — CID 6415925

IUPAC6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)cn2c1
InChIInChI=1S/C23H16ClN5S/c24-18-11-12-20-25-19(14-29(20)13-18)15-30-23-26-21(16-7-3-1-4-8-16)22(27-28-23)17-9-5-2-6-10-17/h1-14H,15H2
InChIKeyFSHZKUJGIOMJFA-UHFFFAOYSA-N
MW429.94 g/mol
LogP5.80
Rot. Bonds5

About 6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 6415925) has the molecular formula C23H16ClN5S and a molecular weight of 429.94 g/mol. Its IUPAC name is 6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID6415925
Molecular FormulaC23H16ClN5S
Molecular Weight429.94 g/mol
Exact Mass429.08
IUPAC Name6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)cn2c1
InChIInChI=1S/C23H16ClN5S/c24-18-11-12-20-25-19(14-29(20)13-18)15-30-23-26-21(16-7-3-1-4-8-16)22(27-28-23)17-9-5-2-6-10-17/h1-14H,15H2
InChIKeyFSHZKUJGIOMJFA-UHFFFAOYSA-N
XLogP5.80
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.94
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-(benzylsulfanylmethyl)-6-chloroimidazo[1,2-a]pyridine
CID 4564792
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 46795169
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 30124548
2-benzyl-5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 40583538
6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 40583645
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]aniline
CID 78912513
6-chloro-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 31713133
2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-chloroimidazo[1,2-a]pyridine
CID 18166692
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetic acid
CID 4262836
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine
CID 84601588
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethyl-trimethylsilane
CID 165473185
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetic acid
CID 2771875

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 6415925) is 6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is Clc1ccc2nc(CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)cn2c1.
What is the InChIKey of 6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is FSHZKUJGIOMJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5S/c24-18-11-12-20-25-19(14-29(20)13-18)15-30-23-26-21(16-7-3-1-4-8-16)22(27-28-23)17-9-5-2-6-10-17/h1-14H,15H2.
What are the key properties of 6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 429.94 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 6415925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).