N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide

C22H23N7O2S — CID 133281669

IUPACN-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide
SMILESCCc1nc2n(n1)CC(Nc1nc3ccccc3nc1NS(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C22H23N7O2S/c1-2-19-26-20-13-12-15(14-29(20)27-19)23-21-22(25-18-11-7-6-10-17(18)24-21)28-32(30,31)16-8-4-3-5-9-16/h3-11,15H,2,12-14H2,1H3,(H,23,24)(H,25,28)
InChIKeyOCSUOVJPSSBJEA-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.01
Rot. Bonds6

About N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide

N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide (PubChem CID 133281669) has the molecular formula C22H23N7O2S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide
PubChem CID133281669
Molecular FormulaC22H23N7O2S
Molecular Weight449.54 g/mol
Exact Mass449.16
IUPAC NameN-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide
SMILESCCc1nc2n(n1)CC(Nc1nc3ccccc3nc1NS(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C22H23N7O2S/c1-2-19-26-20-13-12-15(14-29(20)27-19)23-21-22(25-18-11-7-6-10-17(18)24-21)28-32(30,31)16-8-4-3-5-9-16/h3-11,15H,2,12-14H2,1H3,(H,23,24)(H,25,28)
InChIKeyOCSUOVJPSSBJEA-UHFFFAOYSA-N
XLogP3.01
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide with MolForge

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Related Compounds

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-pyridin-4-ylquinazolin-4-amine
CID 133281755
2-ethyl-N-(2-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119135625
N-[3-(cyclopentylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 7456715
(1S)-2-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-phenylethanol
CID 95607448
(6R)-N-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95323884
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133281716
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrido[2,3-b]pyrazin-6-amine
CID 133281727
N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281650
(6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95340139
N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide
CID 4106272
7-chloro-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)quinolin-4-amine
CID 133281768
N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 4599321

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide?
The IUPAC name of N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide (CID 133281669) is N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide is CCc1nc2n(n1)CC(Nc1nc3ccccc3nc1NS(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide?
The InChIKey is OCSUOVJPSSBJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2S/c1-2-19-26-20-13-12-15(14-29(20)27-19)23-21-22(25-18-11-7-6-10-17(18)24-21)28-32(30,31)16-8-4-3-5-9-16/h3-11,15H,2,12-14H2,1H3,(H,23,24)(H,25,28).
What are the key properties of N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide?
N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide has a molecular weight of 449.54 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]quinoxalin-2-yl]benzenesulfonamide is sourced from PubChem (CID 133281669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).