1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C25H20N6OS — CID 16542913

IUPAC1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1ccccc1-n1c(=O)c2ccccc2n2c(SCc3cn4cccc(C)c4n3)nnc12
InChIInChI=1S/C25H20N6OS/c1-16-8-3-5-11-20(16)30-23(32)19-10-4-6-12-21(19)31-24(30)27-28-25(31)33-15-18-14-29-13-7-9-17(2)22(29)26-18/h3-14H,15H2,1-2H3
InChIKeyUZTZVFYWAFOBBT-UHFFFAOYSA-N
MW452.54 g/mol
LogP4.59
Rot. Bonds4

About 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 16542913) has the molecular formula C25H20N6OS and a molecular weight of 452.54 g/mol. Its IUPAC name is 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID16542913
Molecular FormulaC25H20N6OS
Molecular Weight452.54 g/mol
Exact Mass452.14
IUPAC Name1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCc1ccccc1-n1c(=O)c2ccccc2n2c(SCc3cn4cccc(C)c4n3)nnc12
InChIInChI=1S/C25H20N6OS/c1-16-8-3-5-11-20(16)30-23(32)19-10-4-6-12-21(19)31-24(30)27-28-25(31)33-15-18-14-29-13-7-9-17(2)22(29)26-18/h3-14H,15H2,1-2H3
InChIKeyUZTZVFYWAFOBBT-UHFFFAOYSA-N
XLogP4.59
TPSA69.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 112784974
4-methyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 27060148
4-(2-methylphenyl)-1-(2-methylprop-2-enylsulfanyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 40574532
4-(2,3-dimethylphenyl)-1-ethylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 13057740
N-ethyl-2-[[4-(2-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide
CID 41381394
2-[[4-(2-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-propan-2-ylacetamide
CID 40574524
N-(2-methoxyphenyl)-2-[[4-(2-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide
CID 29312344
2-[[4-(2-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136963146
4-(2-methylphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 38080156
N-(2-methylbutan-2-yl)-2-[[4-(2-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide
CID 27939977
2-[[4-(2,4-dimethylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanylmethyl]indolizine-1-carbonitrile
CID 16624288
8-methyl-2-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 134042086

Frequently Asked Questions

What is the IUPAC name of 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 16542913) is 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is Cc1ccccc1-n1c(=O)c2ccccc2n2c(SCc3cn4cccc(C)c4n3)nnc12.
What is the InChIKey of 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is UZTZVFYWAFOBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6OS/c1-16-8-3-5-11-20(16)30-23(32)19-10-4-6-12-21(19)31-24(30)27-28-25(31)33-15-18-14-29-13-7-9-17(2)22(29)26-18/h3-14H,15H2,1-2H3.
What are the key properties of 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 452.54 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 16542913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).