8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine

C25H26N4O3S — CID 123738138

IUPAC8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1cccc(-c2cccn3nc(-c4cccc(OCCN5CCCC5)c4)nc23)c1
InChIInChI=1S/C25H26N4O3S/c1-33(30,31)22-10-5-7-19(18-22)23-11-6-14-29-25(23)26-24(27-29)20-8-4-9-21(17-20)32-16-15-28-12-2-3-13-28/h4-11,14,17-18H,2-3,12-13,15-16H2,1H3
InChIKeySVANNAKIZYOGJU-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.94
Rot. Bonds7

About 8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine

8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 123738138) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID123738138
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1cccc(-c2cccn3nc(-c4cccc(OCCN5CCCC5)c4)nc23)c1
InChIInChI=1S/C25H26N4O3S/c1-33(30,31)22-10-5-7-19(18-22)23-11-6-14-29-25(23)26-24(27-29)20-8-4-9-21(17-20)32-16-15-28-12-2-3-13-28/h4-11,14,17-18H,2-3,12-13,15-16H2,1H3
InChIKeySVANNAKIZYOGJU-UHFFFAOYSA-N
XLogP3.94
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine
CID 173109854
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CID 58483782
formic acid;4-[2-[6-(3-methylsulfonylphenyl)naphthalen-2-yl]oxyethyl]morpholine
CID 172911293
4-[2-[3-[5-[5-(3-methylsulfonylphenyl)thiophen-2-yl]-3-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]morpholine
CID 59632765
N-tert-butyl-3-[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]benzenesulfonamide
CID 164848637
4-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,5-diamine
CID 67428226
6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazine-3,5-diamine
CID 58103107
1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
CID 139884839
1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
CID 68796293
4-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984058
9-methyl-2-(3-methylsulfonylphenyl)purine
CID 157019407
4-chloro-2-(4-methoxyphenyl)-6-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 171470139

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 123738138) is 8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine is CS(=O)(=O)c1cccc(-c2cccn3nc(-c4cccc(OCCN5CCCC5)c4)nc23)c1.
What is the InChIKey of 8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is SVANNAKIZYOGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-33(30,31)22-10-5-7-19(18-22)23-11-6-14-29-25(23)26-24(27-29)20-8-4-9-21(17-20)32-16-15-28-12-2-3-13-28/h4-11,14,17-18H,2-3,12-13,15-16H2,1H3.
What are the key properties of 8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 462.58 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 123738138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).