4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide

C25H25F4N5O2 — CID 147359459

IUPAC4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1
InChIInChI=1S/C25H25F4N5O2/c1-32(23(35)18-8-7-16(26)15-20(18)25(27,28)29)17-10-13-34(14-11-17)24(36)19-5-3-4-6-21(19)31-22-9-12-30-33(22)2/h3-9,12,15,17,31H,10-11,13-14H2,1-2H3
InChIKeyDGYPDRAGFZNVOC-UHFFFAOYSA-N
MW503.50 g/mol
LogP4.70
Rot. Bonds5

About 4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide

4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide (PubChem CID 147359459) has the molecular formula C25H25F4N5O2 and a molecular weight of 503.50 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
PubChem CID147359459
Molecular FormulaC25H25F4N5O2
Molecular Weight503.50 g/mol
Exact Mass503.19
IUPAC Name4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESCN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1
InChIInChI=1S/C25H25F4N5O2/c1-32(23(35)18-8-7-16(26)15-20(18)25(27,28)29)17-10-13-34(14-11-17)24(36)19-5-3-4-6-21(19)31-22-9-12-30-33(22)2/h3-9,12,15,17,31H,10-11,13-14H2,1-2H3
InChIKeyDGYPDRAGFZNVOC-UHFFFAOYSA-N
XLogP4.70
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide 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 4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide (CID 147359459) is 4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide is CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1.
What is the InChIKey of 4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is DGYPDRAGFZNVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N5O2/c1-32(23(35)18-8-7-16(26)15-20(18)25(27,28)29)17-10-13-34(14-11-17)24(36)19-5-3-4-6-21(19)31-22-9-12-30-33(22)2/h3-9,12,15,17,31H,10-11,13-14H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide?
4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 503.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 147359459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).