2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C33H29ClN8O4S2 — CID 162098648

IUPAC2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Cl)nc23)cc1.CS(=O)(=O)c1ccc(-c2cccn3nc(NCCc4ccccn4)nc23)cc1
InChIInChI=1S/C20H19N5O2S.C13H10ClN3O2S/c1-28(26,27)17-9-7-15(8-10-17)18-6-4-14-25-19(18)23-20(24-25)22-13-11-16-5-2-3-12-21-16;1-20(18,19)10-6-4-9(5-7-10)11-3-2-8-17-12(11)15-13(14)16-17/h2-10,12,14H,11,13H2,1H3,(H,22,24);2-8H,1H3
InChIKeyZEOUXYBJTNUGFE-UHFFFAOYSA-N
MW701.23 g/mol
LogP5.30
Rot. Bonds8

About 2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 162098648) has the molecular formula C33H29ClN8O4S2 and a molecular weight of 701.23 g/mol. Its IUPAC name is 2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID162098648
Molecular FormulaC33H29ClN8O4S2
Molecular Weight701.23 g/mol
Exact Mass700.14
IUPAC Name2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Cl)nc23)cc1.CS(=O)(=O)c1ccc(-c2cccn3nc(NCCc4ccccn4)nc23)cc1
InChIInChI=1S/C20H19N5O2S.C13H10ClN3O2S/c1-28(26,27)17-9-7-15(8-10-17)18-6-4-14-25-19(18)23-20(24-25)22-13-11-16-5-2-3-12-21-16;1-20(18,19)10-6-4-9(5-7-10)11-3-2-8-17-12(11)15-13(14)16-17/h2-10,12,14H,11,13H2,1H3,(H,22,24);2-8H,1H3
InChIKeyZEOUXYBJTNUGFE-UHFFFAOYSA-N
XLogP5.30
TPSA153.58 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500701.23
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

8-(4-methylsulfinylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 91420469
8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67481528
8-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70929395
4,6-dichloro-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 58508167
8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
CID 68775120
2-chloro-3-(2-pyridin-2-ylethylamino)naphthalene-1,4-dione
CID 142721290
2-chloro-N-[(2-methylsulfonylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 67479011
4-(2-chlorophenyl)-2-methyl-6-N-(2-pyridin-2-ylethyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 42807916
2-[2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]ethyl]pyridine
CID 19355915
4-chloro-6-methoxy-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 62858127
8-(1-benzothiophen-3-yl)-N-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70929706
8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 59612354

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 162098648) is 2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cccn3nc(Cl)nc23)cc1.CS(=O)(=O)c1ccc(-c2cccn3nc(NCCc4ccccn4)nc23)cc1.
What is the InChIKey of 2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ZEOUXYBJTNUGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S.C13H10ClN3O2S/c1-28(26,27)17-9-7-15(8-10-17)18-6-4-14-25-19(18)23-20(24-25)22-13-11-16-5-2-3-12-21-16;1-20(18,19)10-6-4-9(5-7-10)11-3-2-8-17-12(11)15-13(14)16-17/h2-10,12,14H,11,13H2,1H3,(H,22,24);2-8H,1H3.
What are the key properties of 2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 701.23 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine;8-(4-methylsulfonylphenyl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 162098648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).