[4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

C24H23N5O4S — CID 59199010

IUPAC[4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)cc1
InChIInChI=1S/C24H23N5O4S/c1-34(31,32)20-10-6-17(7-11-20)21-3-2-12-29-22(21)26-24(27-29)25-19-8-4-18(5-9-19)23(30)28-13-15-33-16-14-28/h2-12H,13-16H2,1H3,(H,25,27)
InChIKeyJWGTVLHHDDDEOE-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.02
Rot. Bonds5

About [4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

[4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 59199010) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is [4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID59199010
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name[4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)cc1
InChIInChI=1S/C24H23N5O4S/c1-34(31,32)20-10-6-17(7-11-20)21-3-2-12-29-22(21)26-24(27-29)25-19-8-4-18(5-9-19)23(30)28-13-15-33-16-14-28/h2-12H,13-16H2,1H3,(H,25,27)
InChIKeyJWGTVLHHDDDEOE-UHFFFAOYSA-N
XLogP3.02
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 59199010) is [4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)cc1.
What is the InChIKey of [4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is JWGTVLHHDDDEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-34(31,32)20-10-6-17(7-11-20)21-3-2-12-29-22(21)26-24(27-29)25-19-8-4-18(5-9-19)23(30)28-13-15-33-16-14-28/h2-12H,13-16H2,1H3,(H,25,27).
What are the key properties of [4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
[4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 477.55 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59199010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).