2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C24H21ClF4N6O5 — CID 166100229

IUPAC2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCC(c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)C(c1cnn(CCOC(F)(F)F)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C24H21ClF4N6O5/c1-12(21-33-19(20(36)23(38)34(21)2)22(37)32-15-9-31-40-11-15)18(16-7-14(26)3-4-17(16)25)13-8-30-35(10-13)5-6-39-24(27,28)29/h3-4,7-12,18,36H,5-6H2,1-2H3,(H,32,37)
InChIKeyLJKRFLGPALHVCJ-UHFFFAOYSA-N
MW584.91 g/mol
LogP4.19
Rot. Bonds9

About 2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 166100229) has the molecular formula C24H21ClF4N6O5 and a molecular weight of 584.91 g/mol. Its IUPAC name is 2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID166100229
Molecular FormulaC24H21ClF4N6O5
Molecular Weight584.91 g/mol
Exact Mass584.12
IUPAC Name2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCC(c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)C(c1cnn(CCOC(F)(F)F)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C24H21ClF4N6O5/c1-12(21-33-19(20(36)23(38)34(21)2)22(37)32-15-9-31-40-11-15)18(16-7-14(26)3-4-17(16)25)13-8-30-35(10-13)5-6-39-24(27,28)29/h3-4,7-12,18,36H,5-6H2,1-2H3,(H,32,37)
InChIKeyLJKRFLGPALHVCJ-UHFFFAOYSA-N
XLogP4.19
TPSA137.30 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.91
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide 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 2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 166100229) is 2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is CC(c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)C(c1cnn(CCOC(F)(F)F)c1)c1cc(F)ccc1Cl.
What is the InChIKey of 2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is LJKRFLGPALHVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF4N6O5/c1-12(21-33-19(20(36)23(38)34(21)2)22(37)32-15-9-31-40-11-15)18(16-7-14(26)3-4-17(16)25)13-8-30-35(10-13)5-6-39-24(27,28)29/h3-4,7-12,18,36H,5-6H2,1-2H3,(H,32,37).
What are the key properties of 2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 584.91 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-5-fluorophenyl)-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]propan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 166100229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).