N-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide

C29H24F3N5O — CID 46880079

IUPACN-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)Cc1cccc(-c2cnn3c(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccnc23)c1
InChIInChI=1S/C29H24F3N5O/c1-36(2)18-19-6-3-7-20(14-19)25-17-34-37-26(12-13-33-27(25)37)21-8-5-11-24(16-21)35-28(38)22-9-4-10-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38)
InChIKeyYNTFITDLPCWGGI-UHFFFAOYSA-N
MW515.54 g/mol
LogP6.40
Rot. Bonds6

About N-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 46880079) has the molecular formula C29H24F3N5O and a molecular weight of 515.54 g/mol. Its IUPAC name is N-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID46880079
Molecular FormulaC29H24F3N5O
Molecular Weight515.54 g/mol
Exact Mass515.19
IUPAC NameN-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)Cc1cccc(-c2cnn3c(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccnc23)c1
InChIInChI=1S/C29H24F3N5O/c1-36(2)18-19-6-3-7-20(14-19)25-17-34-37-26(12-13-33-27(25)37)21-8-5-11-24(16-21)35-28(38)22-9-4-10-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38)
InChIKeyYNTFITDLPCWGGI-UHFFFAOYSA-N
XLogP6.40
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.54
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(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

Related Compounds

Ponatinib
CID 24826799
Eganelisib
CID 91933883
Ponatinib Hydrochloride
CID 46908927
Olverembatinib
CID 51038269
4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
Vamotinib
CID 71475839
Discontinued See A191400
CID 71450146
Pluripotin
CID 12003241
Benzamide, 3-(2-imidazo(1,2-b)pyridazin-3-ylethynyl)-4-methyl-N-(4-(1-piperazinylmethyl)-3-(trifluoromethyl)phenyl)-
CID 24826880
Jqez5
CID 121322599
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
3-(((4-Methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)methyl)amino)-N-(2-(trifluoromethyl)benzyl)benzamide
CID 11677079

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 46880079) is N-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide is CN(C)Cc1cccc(-c2cnn3c(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccnc23)c1.
What is the InChIKey of N-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is YNTFITDLPCWGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N5O/c1-36(2)18-19-6-3-7-20(14-19)25-17-34-37-26(12-13-33-27(25)37)21-8-5-11-24(16-21)35-28(38)22-9-4-10-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38).
What are the key properties of N-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 515.54 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46880079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).