2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid

C23H22N4O5S — CID 142427779

IUPAC2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid
SMILESC[C@@H](NC(=O)c1cc(-c2cccc3cc[nH]c23)nn1C)c1ccc(S(=O)(=O)CC(=O)O)cc1
InChIInChI=1S/C23H22N4O5S/c1-14(15-6-8-17(9-7-15)33(31,32)13-21(28)29)25-23(30)20-12-19(26-27(20)2)18-5-3-4-16-10-11-24-22(16)18/h3-12,14,24H,13H2,1-2H3,(H,25,30)(H,28,29)/t14-/m1/s1
InChIKeyOQYWPHSLNUUAGD-CQSZACIVSA-N
MW466.52 g/mol
LogP2.92
Rot. Bonds7

About 2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid

2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid (PubChem CID 142427779) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is 2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid.

Molecular Properties

Compound Name2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid
PubChem CID142427779
Molecular FormulaC23H22N4O5S
Molecular Weight466.52 g/mol
Exact Mass466.13
IUPAC Name2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid
SMILESC[C@@H](NC(=O)c1cc(-c2cccc3cc[nH]c23)nn1C)c1ccc(S(=O)(=O)CC(=O)O)cc1
InChIInChI=1S/C23H22N4O5S/c1-14(15-6-8-17(9-7-15)33(31,32)13-21(28)29)25-23(30)20-12-19(26-27(20)2)18-5-3-4-16-10-11-24-22(16)18/h3-12,14,24H,13H2,1-2H3,(H,25,30)(H,28,29)/t14-/m1/s1
InChIKeyOQYWPHSLNUUAGD-CQSZACIVSA-N
XLogP2.92
TPSA134.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid 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

propan-2-yl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate
CID 142427917
3-(4-fluorophenyl)-N-[(1R)-1-[4-[2-(methoxyamino)-2-oxoethyl]sulfonylphenyl]ethyl]-1-methylpyrazole-5-carboxamide
CID 155544585
2-[4-[(1S)-1-[(4,5-dichloro-1,6-dimethylindole-2-carbonyl)amino]ethyl]phenyl]sulfonylacetic acid
CID 155560173
2-[4-[1-[(4-chloro-6-ethynyl-1-methylindole-2-carbonyl)amino]ethyl]phenyl]sulfonylacetic acid
CID 142427677
3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 93014229
N-[(1R)-1-[4-(diaminomethylideneamino)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155537379
N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 58417388
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-7-carboxamide
CID 103856743
2-[4-[(1R)-1-[(4-chloro-1,6-dimethylindole-2-carbonyl)amino]ethyl]phenyl]sulfonylacetic acid;methane;2-methylpropyl 2-[4-[(1R)-1-[(4-chloro-1,6-dimethylindole-2-carbonyl)amino]ethyl]phenyl]sulfonylacetate
CID 163948387
(3S)-3-(1H-indol-7-yl)butanoic acid
CID 96762196
3-(2-chlorophenyl)-N-(1H-indol-6-yl)-1-methylpyrazole-5-carboxamide
CID 86207186
2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 78905447

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid?
The IUPAC name of 2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid (CID 142427779) is 2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid.
What is the SMILES notation for 2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid?
The canonical SMILES for 2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid is C[C@@H](NC(=O)c1cc(-c2cccc3cc[nH]c23)nn1C)c1ccc(S(=O)(=O)CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid?
The InChIKey is OQYWPHSLNUUAGD-CQSZACIVSA-N. The full InChI is InChI=1S/C23H22N4O5S/c1-14(15-6-8-17(9-7-15)33(31,32)13-21(28)29)25-23(30)20-12-19(26-27(20)2)18-5-3-4-16-10-11-24-22(16)18/h3-12,14,24H,13H2,1-2H3,(H,25,30)(H,28,29)/t14-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid?
2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid has a molecular weight of 466.52 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-[[3-(1H-indol-7-yl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetic acid is sourced from PubChem (CID 142427779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).