azetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone

C23H21N5O3S — CID 121260961

IUPACazetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone
SMILESO=C(c1ccc(CNc2nc3ccc(S(=O)(=O)c4ccccc4)cn3n2)cc1)N1CCC1
InChIInChI=1S/C23H21N5O3S/c29-22(27-13-4-14-27)18-9-7-17(8-10-18)15-24-23-25-21-12-11-20(16-28(21)26-23)32(30,31)19-5-2-1-3-6-19/h1-3,5-12,16H,4,13-15H2,(H,24,26)
InChIKeyDFADLFRZLSNLKT-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.02
Rot. Bonds6

About azetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone

azetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone (PubChem CID 121260961) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is azetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone
PubChem CID121260961
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Nameazetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone
SMILESO=C(c1ccc(CNc2nc3ccc(S(=O)(=O)c4ccccc4)cn3n2)cc1)N1CCC1
InChIInChI=1S/C23H21N5O3S/c29-22(27-13-4-14-27)18-9-7-17(8-10-18)15-24-23-25-21-12-11-20(16-28(21)26-23)32(30,31)19-5-2-1-3-6-19/h1-3,5-12,16H,4,13-15H2,(H,24,26)
InChIKeyDFADLFRZLSNLKT-UHFFFAOYSA-N
XLogP3.02
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1R)-2-[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-phenylethanol
CID 121260936
N-benzyl-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059407
N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide
CID 137452341
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 8573229
N-ethyl-N-phenyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-sulfonamide
CID 112798825
[4-[6-(benzylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]-phenylmethanone
CID 97447816
N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70984780
1-(benzenesulfonyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 46581681
2-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 32682697
N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 1100955
N-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 50946897
4-[4-(benzylamino)phenyl]sulfonylbenzoic acid
CID 21178236

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone?
The IUPAC name of azetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone (CID 121260961) is azetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone.
What is the SMILES notation for azetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone?
The canonical SMILES for azetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone is O=C(c1ccc(CNc2nc3ccc(S(=O)(=O)c4ccccc4)cn3n2)cc1)N1CCC1.
What is the InChIKey of azetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone?
The InChIKey is DFADLFRZLSNLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c29-22(27-13-4-14-27)18-9-7-17(8-10-18)15-24-23-25-21-12-11-20(16-28(21)26-23)32(30,31)19-5-2-1-3-6-19/h1-3,5-12,16H,4,13-15H2,(H,24,26).
What are the key properties of azetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone?
azetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone has a molecular weight of 447.52 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[4-[[[6-(benzenesulfonyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]methyl]phenyl]methanone is sourced from PubChem (CID 121260961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).