5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

C27H21FN4O — CID 93009070

IUPAC5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn12)c1ccccc1
InChIInChI=1S/C27H21FN4O/c1-18(19-8-4-2-5-9-19)29-27(33)25-16-23(21-12-14-22(28)15-13-21)30-26-17-24(31-32(25)26)20-10-6-3-7-11-20/h2-18H,1H3,(H,29,33)/t18-/m0/s1
InChIKeyWUYVYLPXFGPIMY-SFHVURJKSA-N
MW436.49 g/mol
LogP5.69
Rot. Bonds5

About 5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 93009070) has the molecular formula C27H21FN4O and a molecular weight of 436.49 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID93009070
Molecular FormulaC27H21FN4O
Molecular Weight436.49 g/mol
Exact Mass436.17
IUPAC Name5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn12)c1ccccc1
InChIInChI=1S/C27H21FN4O/c1-18(19-8-4-2-5-9-19)29-27(33)25-16-23(21-12-14-22(28)15-13-21)30-26-17-24(31-32(25)26)20-10-6-3-7-11-20/h2-18H,1H3,(H,29,33)/t18-/m0/s1
InChIKeyWUYVYLPXFGPIMY-SFHVURJKSA-N
XLogP5.69
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide 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

2-(4-chlorophenyl)-5-(4-fluorophenyl)-N-(1-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080268
N-ethoxy-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877528
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 7337494
N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93008842
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080104
3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 93014229
N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93009055
5-phenyl-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1101564
2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079173
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 40551886
2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 93009006

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 93009070) is 5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)nc2cc(-c3ccccc3)nn12)c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is WUYVYLPXFGPIMY-SFHVURJKSA-N. The full InChI is InChI=1S/C27H21FN4O/c1-18(19-8-4-2-5-9-19)29-27(33)25-16-23(21-12-14-22(28)15-13-21)30-26-17-24(31-32(25)26)20-10-6-3-7-11-20/h2-18H,1H3,(H,29,33)/t18-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-phenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 93009070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).