N-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide

C23H18F3N5O3 — CID 164573417

IUPACN-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
SMILESO=C(Nc1c[nH]c2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc12)C(=O)NC1COC1
InChIInChI=1S/C23H18F3N5O3/c24-23(25,26)15-2-4-17(5-3-15)31-10-14(8-28-31)13-1-6-19-18(7-13)20(9-27-19)30-22(33)21(32)29-16-11-34-12-16/h1-10,16,27H,11-12H2,(H,29,32)(H,30,33)
InChIKeyGZEYIENHVGEARE-UHFFFAOYSA-N
MW469.42 g/mol
LogP3.49
Rot. Bonds4

About N-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide

N-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide (PubChem CID 164573417) has the molecular formula C23H18F3N5O3 and a molecular weight of 469.42 g/mol. Its IUPAC name is N-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide.

Molecular Properties

Compound NameN-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
PubChem CID164573417
Molecular FormulaC23H18F3N5O3
Molecular Weight469.42 g/mol
Exact Mass469.14
IUPAC NameN-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
SMILESO=C(Nc1c[nH]c2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc12)C(=O)NC1COC1
InChIInChI=1S/C23H18F3N5O3/c24-23(25,26)15-2-4-17(5-3-15)31-10-14(8-28-31)13-1-6-19-18(7-13)20(9-27-19)30-22(33)21(32)29-16-11-34-12-16/h1-10,16,27H,11-12H2,(H,29,32)(H,30,33)
InChIKeyGZEYIENHVGEARE-UHFFFAOYSA-N
XLogP3.49
TPSA101.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide 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 N-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide?
The IUPAC name of N-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide (CID 164573417) is N-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide.
What is the SMILES notation for N-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide?
The canonical SMILES for N-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide is O=C(Nc1c[nH]c2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc12)C(=O)NC1COC1.
What is the InChIKey of N-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide?
The InChIKey is GZEYIENHVGEARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O3/c24-23(25,26)15-2-4-17(5-3-15)31-10-14(8-28-31)13-1-6-19-18(7-13)20(9-27-19)30-22(33)21(32)29-16-11-34-12-16/h1-10,16,27H,11-12H2,(H,29,32)(H,30,33).
What are the key properties of N-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide?
N-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide has a molecular weight of 469.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxetan-3-yl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide is sourced from PubChem (CID 164573417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).