N-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H20N4O3S — CID 162129799

IUPACN-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccccc1Nc1nc2ccc(-c3cccc(CS(C)(=O)=O)c3)cn2n1
InChIInChI=1S/C21H20N4O3S/c1-28-19-9-4-3-8-18(19)22-21-23-20-11-10-17(13-25(20)24-21)16-7-5-6-15(12-16)14-29(2,26)27/h3-13H,14H2,1-2H3,(H,22,24)
InChIKeyZINAADFTFXZFSH-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.69
Rot. Bonds6

About N-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 162129799) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID162129799
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccccc1Nc1nc2ccc(-c3cccc(CS(C)(=O)=O)c3)cn2n1
InChIInChI=1S/C21H20N4O3S/c1-28-19-9-4-3-8-18(19)22-21-23-20-11-10-17(13-25(20)24-21)16-7-5-6-15(12-16)14-29(2,26)27/h3-13H,14H2,1-2H3,(H,22,24)
InChIKeyZINAADFTFXZFSH-UHFFFAOYSA-N
XLogP3.69
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Empesertib
CID 71599640
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(3-methoxy-phenyl)-amine
CID 49838518
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-methoxy-phenyl)-amine
CID 57502381
4-[2-(2-Methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,6-dimethylphenol
CID 53233539
2,6-Dimethyl-4-[2-(4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenol
CID 53233656
N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide
CID 53234587
8-(2-Methoxyphenyl)-N-phenyl[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 57502377
2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
CID 66574857
US9663510, Example comparitive example 4
CID 117749351
(2S)-2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
CID 124672819
5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}-N-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59612337
[8-(1-Methanesulfonyl-1,2,3,6-tetrahydro-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-(4-methoxy-phenyl)-amine
CID 67479063

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 162129799) is N-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccccc1Nc1nc2ccc(-c3cccc(CS(C)(=O)=O)c3)cn2n1.
What is the InChIKey of N-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ZINAADFTFXZFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-28-19-9-4-3-8-18(19)22-21-23-20-11-10-17(13-25(20)24-21)16-7-5-6-15(12-16)14-29(2,26)27/h3-13H,14H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 408.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-6-[3-(methylsulfonylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 162129799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).