8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride

C22H26ClN7O2S — CID 68775120

IUPAC8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cnn(CCN5CCCC5)c4)nc23)cc1.Cl
InChIInChI=1S/C22H25N7O2S.ClH/c1-32(30,31)19-8-6-17(7-9-19)20-5-4-12-29-21(20)25-22(26-29)24-18-15-23-28(16-18)14-13-27-10-2-3-11-27;/h4-9,12,15-16H,2-3,10-11,13-14H2,1H3,(H,24,26);1H
InChIKeyGJNILCWDLYQSSW-UHFFFAOYSA-N
MW488.02 g/mol
LogP3.26
Rot. Bonds7

About 8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride

8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride (PubChem CID 68775120) has the molecular formula C22H26ClN7O2S and a molecular weight of 488.02 g/mol. Its IUPAC name is 8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
PubChem CID68775120
Molecular FormulaC22H26ClN7O2S
Molecular Weight488.02 g/mol
Exact Mass487.16
IUPAC Name8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cnn(CCN5CCCC5)c4)nc23)cc1.Cl
InChIInChI=1S/C22H25N7O2S.ClH/c1-32(30,31)19-8-6-17(7-9-19)20-5-4-12-29-21(20)25-22(26-29)24-18-15-23-28(16-18)14-13-27-10-2-3-11-27;/h4-9,12,15-16H,2-3,10-11,13-14H2,1H3,(H,24,26);1H
InChIKeyGJNILCWDLYQSSW-UHFFFAOYSA-N
XLogP3.26
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.02
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride 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 8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride?
The IUPAC name of 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) is 8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride?
The canonical SMILES for 8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride is CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cnn(CCN5CCCC5)c4)nc23)cc1.Cl.
What is the InChIKey of 8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride?
The InChIKey is GJNILCWDLYQSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2S.ClH/c1-32(30,31)19-8-6-17(7-9-19)20-5-4-12-29-21(20)25-22(26-29)24-18-15-23-28(16-18)14-13-27-10-2-3-11-27;/h4-9,12,15-16H,2-3,10-11,13-14H2,1H3,(H,24,26);1H.
What are the key properties of 8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride?
8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride has a molecular weight of 488.02 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylsulfonylphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 68775120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).