N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide

C23H28N6O3 — CID 110209805

IUPACN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)CC1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C23H28N6O3/c1-13(2)29-15(4)21(14(3)27-29)26-20(30)11-19-22(31)28(23(32)25-19)10-9-16-12-24-18-8-6-5-7-17(16)18/h5-8,12-13,19,24H,9-11H2,1-4H3,(H,25,32)(H,26,30)
InChIKeyJPNQPSMVUDPMQM-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.05
Rot. Bonds7

About N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 110209805) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID110209805
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)CC1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C23H28N6O3/c1-13(2)29-15(4)21(14(3)27-29)26-20(30)11-19-22(31)28(23(32)25-19)10-9-16-12-24-18-8-6-5-7-17(16)18/h5-8,12-13,19,24H,9-11H2,1-4H3,(H,25,32)(H,26,30)
InChIKeyJPNQPSMVUDPMQM-UHFFFAOYSA-N
XLogP3.05
TPSA112.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638714
2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 124863434
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 91638372
N-cyclopentyl-2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124873371
N-cycloheptyl-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823490
N-[(1S)-2-hydroxy-1-phenylethyl]-2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124861044
2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124863995
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 91638530
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 91640515
N-[(2R)-butan-2-yl]-3-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 97489172
3-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73257190
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124673769

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 110209805) is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is Cc1nn(C(C)C)c(C)c1NC(=O)CC1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is JPNQPSMVUDPMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-13(2)29-15(4)21(14(3)27-29)26-20(30)11-19-22(31)28(23(32)25-19)10-9-16-12-24-18-8-6-5-7-17(16)18/h5-8,12-13,19,24H,9-11H2,1-4H3,(H,25,32)(H,26,30).
What are the key properties of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 436.52 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-[1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 110209805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).