7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C26H21F4N5O4 — CID 59462358

IUPAC7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nc3c(F)cnn23)cc1C
InChIInChI=1S/C26H21F4N5O4/c1-14-8-17(6-7-19(14)15(2)36)12-32-25(38)22-10-21(34-23-20(27)13-33-35(22)23)24(37)31-11-16-4-3-5-18(9-16)39-26(28,29)30/h3-10,13H,11-12H2,1-2H3,(H,31,37)(H,32,38)
InChIKeyYSQCZRIZMXAFNL-UHFFFAOYSA-N
MW543.48 g/mol
LogP4.14
Rot. Bonds8

About 7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59462358) has the molecular formula C26H21F4N5O4 and a molecular weight of 543.48 g/mol. Its IUPAC name is 7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59462358
Molecular FormulaC26H21F4N5O4
Molecular Weight543.48 g/mol
Exact Mass543.15
IUPAC Name7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nc3c(F)cnn23)cc1C
InChIInChI=1S/C26H21F4N5O4/c1-14-8-17(6-7-19(14)15(2)36)12-32-25(38)22-10-21(34-23-20(27)13-33-35(22)23)24(37)31-11-16-4-3-5-18(9-16)39-26(28,29)30/h3-10,13H,11-12H2,1-2H3,(H,31,37)(H,32,38)
InChIKeyYSQCZRIZMXAFNL-UHFFFAOYSA-N
XLogP4.14
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide 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 7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59462358) is 7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)c1ccc(CNC(=O)c2cc(C(=O)NCc3cccc(OC(F)(F)F)c3)nc3c(F)cnn23)cc1C.
What is the InChIKey of 7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is YSQCZRIZMXAFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F4N5O4/c1-14-8-17(6-7-19(14)15(2)36)12-32-25(38)22-10-21(34-23-20(27)13-33-35(22)23)24(37)31-11-16-4-3-5-18(9-16)39-26(28,29)30/h3-10,13H,11-12H2,1-2H3,(H,31,37)(H,32,38).
What are the key properties of 7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 543.48 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-acetyl-3-methylphenyl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59462358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).