4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide

C26H18F3N5O — CID 69131298

IUPAC4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3ccnc4c(-c5cccnc5)cnn34)c2)cc1C(F)(F)F
InChIInChI=1S/C26H18F3N5O/c1-16-7-8-18(13-22(16)26(27,28)29)25(35)33-20-6-2-4-17(12-20)23-9-11-31-24-21(15-32-34(23)24)19-5-3-10-30-14-19/h2-15H,1H3,(H,33,35)
InChIKeyQLJKMOXFJIOOEN-UHFFFAOYSA-N
MW473.46 g/mol
LogP6.04
Rot. Bonds4

About 4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide

4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 69131298) has the molecular formula C26H18F3N5O and a molecular weight of 473.46 g/mol. Its IUPAC name is 4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID69131298
Molecular FormulaC26H18F3N5O
Molecular Weight473.46 g/mol
Exact Mass473.15
IUPAC Name4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3ccnc4c(-c5cccnc5)cnn34)c2)cc1C(F)(F)F
InChIInChI=1S/C26H18F3N5O/c1-16-7-8-18(13-22(16)26(27,28)29)25(35)33-20-6-2-4-17(12-20)23-9-11-31-24-21(15-32-34(23)24)19-5-3-10-30-14-19/h2-15H,1H3,(H,33,35)
InChIKeyQLJKMOXFJIOOEN-UHFFFAOYSA-N
XLogP6.04
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.46
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 69131298) is 4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(C(=O)Nc2cccc(-c3ccnc4c(-c5cccnc5)cnn34)c2)cc1C(F)(F)F.
What is the InChIKey of 4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QLJKMOXFJIOOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N5O/c1-16-7-8-18(13-22(16)26(27,28)29)25(35)33-20-6-2-4-17(12-20)23-9-11-31-24-21(15-32-34(23)24)19-5-3-10-30-14-19/h2-15H,1H3,(H,33,35).
What are the key properties of 4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 473.46 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69131298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).