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

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Related Compounds

N-cyclopropyl-3-((1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo(3,4-b)pyridin-4-yl)amino)-4-methylbenzamide
CID 42647297
SR-318
CID 139030333
N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
CID 25118220
N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-4-(trifluoromethyl)benzamide
CID 135869418
4-fluoro-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869427
4-[(4-Acetylphenyl)methyl]-5-(3,4-difluoroanilino)-8,11,11-trimethyl-1,3,4,8,10-pentazatricyclo[7.3.0.02,6]dodeca-2,5,9-trien-7-one
CID 86279223
N-Cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylbenzamide
CID 25052767
N-Cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-5-fluoro-4-methylbenzamide
CID 25118571
N-Cyclopropyl-3-(1-(2,4-difluorophenyl)-7-ethyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylbenzamide
CID 25119991
N-cyclopropyl-3-(1-(2,5-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-4-ylamino)-4-methylbenzamide
CID 25271186
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720197
7-[2-(Prop-2-enoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983736

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).