N-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide

C20H22N6O3S — CID 175095219

IUPACN-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2
InChIInChI=1S/C20H22N6O3S/c1-4-30(28,29)24-15-9-8-14-11-25(20(27)16(14)10-15)18-7-5-6-17(22-18)19-23-21-12-26(19)13(2)3/h5-10,12-13,24H,4,11H2,1-3H3
InChIKeyRFRDSWUBWZSSLW-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.84
Rot. Bonds6

About N-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide

N-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide (PubChem CID 175095219) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide
PubChem CID175095219
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC NameN-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2
InChIInChI=1S/C20H22N6O3S/c1-4-30(28,29)24-15-9-8-14-11-25(20(27)16(14)10-15)18-7-5-6-17(22-18)19-23-21-12-26(19)13(2)3/h5-10,12-13,24H,4,11H2,1-3H3
InChIKeyRFRDSWUBWZSSLW-UHFFFAOYSA-N
XLogP2.84
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]boronic acid
CID 148580494
methyl 4-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoate
CID 146559663
carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one
CID 162071353
N-[4-oxo-1-propan-2-yl-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]quinolin-6-yl]ethanesulfonamide
CID 156635564
6-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 146559587
2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrazolo[1,5-a]pyridin-6-yl-3H-isoindol-1-one
CID 153305365
2-(hydroxymethyl)-5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid
CID 146559644
methyl 2-methyl-3-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoate
CID 155490006
5-methyl-6-nitro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 156635522
2-fluoro-5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid
CID 146559614
1-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-4-carboxylic acid
CID 146559639
4-fluoro-3-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]benzoic acid
CID 146559582

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide?
The IUPAC name of N-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide (CID 175095219) is N-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide.
What is the SMILES notation for N-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide?
The canonical SMILES for N-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc2c(c1)C(=O)N(c1cccc(-c3nncn3C(C)C)n1)C2.
What is the InChIKey of N-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide?
The InChIKey is RFRDSWUBWZSSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-4-30(28,29)24-15-9-8-14-11-25(20(27)16(14)10-15)18-7-5-6-17(22-18)19-23-21-12-26(19)13(2)3/h5-10,12-13,24H,4,11H2,1-3H3.
What are the key properties of N-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide?
N-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide has a molecular weight of 426.50 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]ethanesulfonamide is sourced from PubChem (CID 175095219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).