3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide

C21H21F3N4O4 — CID 57378818

IUPAC3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)C(CC2CCCC2)N2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)n1
InChIInChI=1S/C21H21F3N4O4/c1-27-9-8-17(26-27)25-19(30)16(10-12-4-2-3-5-12)28-15-7-6-13(32-21(22,23)24)11-14(15)18(29)20(28)31/h6-9,11-12,16H,2-5,10H2,1H3,(H,25,26,30)
InChIKeyFLFWTUKSBBWCOP-UHFFFAOYSA-N
MW450.42 g/mol
LogP3.44
Rot. Bonds6

About 3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide

3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 57378818) has the molecular formula C21H21F3N4O4 and a molecular weight of 450.42 g/mol. Its IUPAC name is 3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID57378818
Molecular FormulaC21H21F3N4O4
Molecular Weight450.42 g/mol
Exact Mass450.15
IUPAC Name3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)C(CC2CCCC2)N2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)n1
InChIInChI=1S/C21H21F3N4O4/c1-27-9-8-17(26-27)25-19(30)16(10-12-4-2-3-5-12)28-15-7-6-13(32-21(22,23)24)11-14(15)18(29)20(28)31/h6-9,11-12,16H,2-5,10H2,1H3,(H,25,26,30)
InChIKeyFLFWTUKSBBWCOP-UHFFFAOYSA-N
XLogP3.44
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide (CID 57378818) is 3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide is Cn1ccc(NC(=O)C(CC2CCCC2)N2C(=O)C(=O)c3cc(OC(F)(F)F)ccc32)n1.
What is the InChIKey of 3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is FLFWTUKSBBWCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O4/c1-27-9-8-17(26-27)25-19(30)16(10-12-4-2-3-5-12)28-15-7-6-13(32-21(22,23)24)11-14(15)18(29)20(28)31/h6-9,11-12,16H,2-5,10H2,1H3,(H,25,26,30).
What are the key properties of 3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide?
3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 450.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[2,3-dioxo-5-(trifluoromethoxy)indol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 57378818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).