1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea

C20H17F3N8O3 — CID 68641112

IUPAC1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea
SMILESCCNC(=O)Nc1cc(-c2cc(C(F)(F)F)nn2C)c(-c2cncc(-c3n[nH]c(=O)o3)c2)cn1
InChIInChI=1S/C20H17F3N8O3/c1-3-25-18(32)27-16-5-12(14-6-15(20(21,22)23)30-31(14)2)13(9-26-16)10-4-11(8-24-7-10)17-28-29-19(33)34-17/h4-9H,3H2,1-2H3,(H,29,33)(H2,25,26,27,32)
InChIKeyMPMYLALHPMJAOQ-UHFFFAOYSA-N
MW474.40 g/mol
LogP3.05
Rot. Bonds5

About 1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea

1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea (PubChem CID 68641112) has the molecular formula C20H17F3N8O3 and a molecular weight of 474.40 g/mol. Its IUPAC name is 1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea
PubChem CID68641112
Molecular FormulaC20H17F3N8O3
Molecular Weight474.40 g/mol
Exact Mass474.14
IUPAC Name1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea
SMILESCCNC(=O)Nc1cc(-c2cc(C(F)(F)F)nn2C)c(-c2cncc(-c3n[nH]c(=O)o3)c2)cn1
InChIInChI=1S/C20H17F3N8O3/c1-3-25-18(32)27-16-5-12(14-6-15(20(21,22)23)30-31(14)2)13(9-26-16)10-4-11(8-24-7-10)17-28-29-19(33)34-17/h4-9H,3H2,1-2H3,(H,29,33)(H2,25,26,27,32)
InChIKeyMPMYLALHPMJAOQ-UHFFFAOYSA-N
XLogP3.05
TPSA143.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.40
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea 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 1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea?
The IUPAC name of 1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea (CID 68641112) is 1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea?
The canonical SMILES for 1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea is CCNC(=O)Nc1cc(-c2cc(C(F)(F)F)nn2C)c(-c2cncc(-c3n[nH]c(=O)o3)c2)cn1.
What is the InChIKey of 1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea?
The InChIKey is MPMYLALHPMJAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N8O3/c1-3-25-18(32)27-16-5-12(14-6-15(20(21,22)23)30-31(14)2)13(9-26-16)10-4-11(8-24-7-10)17-28-29-19(33)34-17/h4-9H,3H2,1-2H3,(H,29,33)(H2,25,26,27,32).
What are the key properties of 1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea?
1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea has a molecular weight of 474.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3-pyridinyl]-2-pyridinyl]urea is sourced from PubChem (CID 68641112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).