8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

C25H26N4O2S — CID 59612354

IUPAC8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Cc4ccc(N5CCCCC5)cc4)nc23)cc1
InChIInChI=1S/C25H26N4O2S/c1-32(30,31)22-13-9-20(10-14-22)23-6-5-17-29-25(23)26-24(27-29)18-19-7-11-21(12-8-19)28-15-3-2-4-16-28/h5-14,17H,2-4,15-16,18H2,1H3
InChIKeyUCGNYEWYMMNUGM-UHFFFAOYSA-N
MW446.58 g/mol
LogP4.38
Rot. Bonds5

About 8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 59612354) has the molecular formula C25H26N4O2S and a molecular weight of 446.58 g/mol. Its IUPAC name is 8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID59612354
Molecular FormulaC25H26N4O2S
Molecular Weight446.58 g/mol
Exact Mass446.18
IUPAC Name8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Cc4ccc(N5CCCCC5)cc4)nc23)cc1
InChIInChI=1S/C25H26N4O2S/c1-32(30,31)22-13-9-20(10-14-22)23-6-5-17-29-25(23)26-24(27-29)18-19-7-11-21(12-8-19)28-15-3-2-4-16-28/h5-14,17H,2-4,15-16,18H2,1H3
InChIKeyUCGNYEWYMMNUGM-UHFFFAOYSA-N
XLogP4.38
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 59612500
2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-N-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 59612428
8-(4-methylsulfonylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67481528
4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine
CID 173109854
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
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
N-methyl-N-[3-[[2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]-2-pyridinyl]methanesulfonamide
CID 59612400
1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
CID 68796293
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
2-[(4-methoxyphenyl)methyl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566284
8-(3-methylsulfonylphenyl)-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 123738138
5-(4-methylsulfonylphenyl)-1,7,9-triazatricyclo[4.3.0.02,8]nona-2,4,6,8-tetraene
CID 67481414

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 59612354) is 8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is CS(=O)(=O)c1ccc(-c2cccn3nc(Cc4ccc(N5CCCCC5)cc4)nc23)cc1.
What is the InChIKey of 8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is UCGNYEWYMMNUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S/c1-32(30,31)22-13-9-20(10-14-22)23-6-5-17-29-25(23)26-24(27-29)18-19-7-11-21(12-8-19)28-15-3-2-4-16-28/h5-14,17H,2-4,15-16,18H2,1H3.
What are the key properties of 8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 446.58 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylsulfonylphenyl)-2-[(4-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 59612354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).