5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H23N5O2S — CID 158228492

IUPAC5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(C)(C)CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccccn4)nn23)c1
InChIInChI=1S/C22H23N5O2S/c1-22(2,3)15-30(28,29)17-9-6-8-16(14-17)18-10-7-12-20-25-21(26-27(18)20)24-19-11-4-5-13-23-19/h4-14H,15H2,1-3H3,(H,23,24,26)
InChIKeyYJUPSAMDILHXHK-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.35
Rot. Bonds5

About 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 158228492) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID158228492
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(C)(C)CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccccn4)nn23)c1
InChIInChI=1S/C22H23N5O2S/c1-22(2,3)15-30(28,29)17-9-6-8-16(14-17)18-10-7-12-20-25-21(26-27(18)20)24-19-11-4-5-13-23-19/h4-14H,15H2,1-3H3,(H,23,24,26)
InChIKeyYJUPSAMDILHXHK-UHFFFAOYSA-N
XLogP4.35
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-methoxyphenyl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44624294
4-[[5-[3-(propan-2-ylsulfamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59186365
N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide
CID 59186272
3-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 59186169
5-[3-(tert-butylamino)phenyl]-N-(5-chloro-2-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 70918281
4-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-N-methylbenzenesulfonamide
CID 90908307
N-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186438
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzamide
CID 67293656
4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59186532
4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-amino-2-methylpropyl)benzamide
CID 44556160
5-(4-aminophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276560
N-(2H-benzotriazol-5-yl)-5-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59276547

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 158228492) is 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC(C)(C)CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccccn4)nn23)c1.
What is the InChIKey of 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is YJUPSAMDILHXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-22(2,3)15-30(28,29)17-9-6-8-16(14-17)18-10-7-12-20-25-21(26-27(18)20)24-19-11-4-5-13-23-19/h4-14H,15H2,1-3H3,(H,23,24,26).
What are the key properties of 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 421.53 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-dimethylpropylsulfonyl)phenyl]-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 158228492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).