2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide

C19H22N4O2 — CID 94825273

IUPAC2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)c(C)c1[C@@H](C)NC(=O)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H22N4O2/c1-10(16-12(3)22-23(5)13(16)4)21-19(25)18(24)17-11(2)20-15-9-7-6-8-14(15)17/h6-10,20H,1-5H3,(H,21,25)/t10-/m1/s1
InChIKeyYTECWOVHNJJJGM-SNVBAGLBSA-N
MW338.41 g/mol
LogP2.89
Rot. Bonds4

About 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (PubChem CID 94825273) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
PubChem CID94825273
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
SMILESCc1nn(C)c(C)c1[C@@H](C)NC(=O)C(=O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H22N4O2/c1-10(16-12(3)22-23(5)13(16)4)21-19(25)18(24)17-11(2)20-15-9-7-6-8-14(15)17/h6-10,20H,1-5H3,(H,21,25)/t10-/m1/s1
InChIKeyYTECWOVHNJJJGM-SNVBAGLBSA-N
XLogP2.89
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 94825272
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 51096099
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 43070112
2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 84962872
1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 60595650
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 94136572
2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
CID 7117468
5-ethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 91788462
N-(1,3-benzothiazol-2-yl)-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 6460295
N-[3-(1H-indol-3-yl)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 56783461
(2S)-1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 8896360
2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide
CID 47093388

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide (CID 94825273) is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide is Cc1nn(C)c(C)c1[C@@H](C)NC(=O)C(=O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is YTECWOVHNJJJGM-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-10(16-12(3)22-23(5)13(16)4)21-19(25)18(24)17-11(2)20-15-9-7-6-8-14(15)17/h6-10,20H,1-5H3,(H,21,25)/t10-/m1/s1.
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 94825273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).