2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

C26H30F3N7O2 — CID 59564494

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccc(C(F)(F)F)cc3-c3cnc(N4CCOCC4)nc3)CC2)n1
InChIInChI=1S/C26H30F3N7O2/c1-18-13-19(2)36(32-18)17-24(37)34-7-5-33(6-8-34)23-4-3-21(26(27,28)29)14-22(23)20-15-30-25(31-16-20)35-9-11-38-12-10-35/h3-4,13-16H,5-12,17H2,1-2H3
InChIKeyAZEMTDVIZWOXQX-UHFFFAOYSA-N
MW529.57 g/mol
LogP3.16
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (PubChem CID 59564494) has the molecular formula C26H30F3N7O2 and a molecular weight of 529.57 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
PubChem CID59564494
Molecular FormulaC26H30F3N7O2
Molecular Weight529.57 g/mol
Exact Mass529.24
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCN(c3ccc(C(F)(F)F)cc3-c3cnc(N4CCOCC4)nc3)CC2)n1
InChIInChI=1S/C26H30F3N7O2/c1-18-13-19(2)36(32-18)17-24(37)34-7-5-33(6-8-34)23-4-3-21(26(27,28)29)14-22(23)20-15-30-25(31-16-20)35-9-11-38-12-10-35/h3-4,13-16H,5-12,17H2,1-2H3
InChIKeyAZEMTDVIZWOXQX-UHFFFAOYSA-N
XLogP3.16
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.57
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

CID 118139347
CID 118139347
CID 140749041
CID 140749041
CID 135998835
CID 135998835
CID 168278376
CID 168278376
CID 56970209
CID 56970209
CID 59507806
CID 59507806
CID 72190821
CID 72190821
CID 72191430
CID 72191430
CID 72191431
CID 72191431
CID 162663326
CID 162663326
CID 162764709
CID 162764709
CID 162764802
CID 162764802

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (CID 59564494) is 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCN(c3ccc(C(F)(F)F)cc3-c3cnc(N4CCOCC4)nc3)CC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is AZEMTDVIZWOXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N7O2/c1-18-13-19(2)36(32-18)17-24(37)34-7-5-33(6-8-34)23-4-3-21(26(27,28)29)14-22(23)20-15-30-25(31-16-20)35-9-11-38-12-10-35/h3-4,13-16H,5-12,17H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 529.57 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 59564494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).