5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole

C25H22N6S2 — CID 20907651

IUPAC5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole
SMILESCc1ccc(C)c(-n2c(SCc3cn4ccccc4n3)nnc2-c2cc3sccc3n2C)c1
InChIInChI=1S/C25H22N6S2/c1-16-7-8-17(2)20(12-16)31-24(21-13-22-19(29(21)3)9-11-32-22)27-28-25(31)33-15-18-14-30-10-5-4-6-23(30)26-18/h4-14H,15H2,1-3H3
InChIKeyHZMKQMZDJDZDPJ-UHFFFAOYSA-N
MW470.63 g/mol
LogP6.04
Rot. Bonds5

About 5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole

5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole (PubChem CID 20907651) has the molecular formula C25H22N6S2 and a molecular weight of 470.63 g/mol. Its IUPAC name is 5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole.

Molecular Properties

Compound Name5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole
PubChem CID20907651
Molecular FormulaC25H22N6S2
Molecular Weight470.63 g/mol
Exact Mass470.13
IUPAC Name5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole
SMILESCc1ccc(C)c(-n2c(SCc3cn4ccccc4n3)nnc2-c2cc3sccc3n2C)c1
InChIInChI=1S/C25H22N6S2/c1-16-7-8-17(2)20(12-16)31-24(21-13-22-19(29(21)3)9-11-32-22)27-28-25(31)33-15-18-14-30-10-5-4-6-23(30)26-18/h4-14H,15H2,1-3H3
InChIKeyHZMKQMZDJDZDPJ-UHFFFAOYSA-N
XLogP6.04
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.63
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole?
The IUPAC name of 5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole (CID 20907651) is 5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole.
What is the SMILES notation for 5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole?
The canonical SMILES for 5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole is Cc1ccc(C)c(-n2c(SCc3cn4ccccc4n3)nnc2-c2cc3sccc3n2C)c1.
What is the InChIKey of 5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole?
The InChIKey is HZMKQMZDJDZDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6S2/c1-16-7-8-17(2)20(12-16)31-24(21-13-22-19(29(21)3)9-11-32-22)27-28-25(31)33-15-18-14-30-10-5-4-6-23(30)26-18/h4-14H,15H2,1-3H3.
What are the key properties of 5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole?
5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole has a molecular weight of 470.63 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,5-dimethylphenyl)-5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]-4-methylthieno[3,2-b]pyrrole is sourced from PubChem (CID 20907651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).