N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide

C17H19IN4O2 — CID 126421691

IUPACN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)CCCn3cc(I)cn3)cc21
InChIInChI=1S/C17H19IN4O2/c1-17(2)13-8-12(5-6-14(13)21-16(17)24)20-15(23)4-3-7-22-10-11(18)9-19-22/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZPQPSUULFKXFEA-UHFFFAOYSA-N
MW438.27 g/mol
LogP3.14
Rot. Bonds5

About N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide

N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide (PubChem CID 126421691) has the molecular formula C17H19IN4O2 and a molecular weight of 438.27 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide
PubChem CID126421691
Molecular FormulaC17H19IN4O2
Molecular Weight438.27 g/mol
Exact Mass438.06
IUPAC NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)CCCn3cc(I)cn3)cc21
InChIInChI=1S/C17H19IN4O2/c1-17(2)13-8-12(5-6-14(13)21-16(17)24)20-15(23)4-3-7-22-10-11(18)9-19-22/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZPQPSUULFKXFEA-UHFFFAOYSA-N
XLogP3.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide
CID 126421662
4-(4-iodopyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 171132618
4-(4-tert-butylphenyl)-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-oxobutanamide
CID 110618671
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
CID 110618656
3-[3-(dimethylamino)-2-oxoquinoxalin-1-yl]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)propanamide
CID 91951013
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110612894
2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-N-(1H-indazol-6-yl)acetamide
CID 110770980
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)pyrazine-2-carboxamide
CID 110667759
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)cyclopropanecarboxamide
CID 110405697
N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
CID 60871928
N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 1259508
(2E)-2-benzylidene-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)butanamide
CID 110618679

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide?
The IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide (CID 126421691) is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide is CC1(C)C(=O)Nc2ccc(NC(=O)CCCn3cc(I)cn3)cc21.
What is the InChIKey of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide?
The InChIKey is ZPQPSUULFKXFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN4O2/c1-17(2)13-8-12(5-6-14(13)21-16(17)24)20-15(23)4-3-7-22-10-11(18)9-19-22/h5-6,8-10H,3-4,7H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide?
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide has a molecular weight of 438.27 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4-(4-iodopyrazol-1-yl)butanamide is sourced from PubChem (CID 126421691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).