4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine

C24H24N4O3S — CID 173109854

IUPAC4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(-c4cccc(CN5CCOCC5)c4)nc23)cc1
InChIInChI=1S/C24H24N4O3S/c1-32(29,30)21-9-7-19(8-10-21)22-6-3-11-28-24(22)25-23(26-28)20-5-2-4-18(16-20)17-27-12-14-31-15-13-27/h2-11,16H,12-15,17H2,1H3
InChIKeyXBPRRDFXKQLPQN-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.30
Rot. Bonds5

About 4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine

4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine (PubChem CID 173109854) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine
PubChem CID173109854
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(-c4cccc(CN5CCOCC5)c4)nc23)cc1
InChIInChI=1S/C24H24N4O3S/c1-32(29,30)21-9-7-19(8-10-21)22-6-3-11-28-24(22)25-23(26-28)20-5-2-4-18(16-20)17-27-12-14-31-15-13-27/h2-11,16H,12-15,17H2,1H3
InChIKeyXBPRRDFXKQLPQN-UHFFFAOYSA-N
XLogP3.30
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine (CID 173109854) is 4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine is CS(=O)(=O)c1ccc(-c2cccn3nc(-c4cccc(CN5CCOCC5)c4)nc23)cc1.
What is the InChIKey of 4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine?
The InChIKey is XBPRRDFXKQLPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-32(29,30)21-9-7-19(8-10-21)22-6-3-11-28-24(22)25-23(26-28)20-5-2-4-18(16-20)17-27-12-14-31-15-13-27/h2-11,16H,12-15,17H2,1H3.
What are the key properties of 4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine?
4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine has a molecular weight of 448.55 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 173109854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).