5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C25H18FN5O — CID 46080172

IUPAC5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C25H18FN5O/c26-20-11-5-4-10-19(20)22-13-23(25(32)28-16-17-7-6-12-27-15-17)31-24(29-22)14-21(30-31)18-8-2-1-3-9-18/h1-15H,16H2,(H,28,32)
InChIKeyDNXUZKLHQHVLNC-UHFFFAOYSA-N
MW423.45 g/mol
LogP4.53
Rot. Bonds5

About 5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46080172) has the molecular formula C25H18FN5O and a molecular weight of 423.45 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID46080172
Molecular FormulaC25H18FN5O
Molecular Weight423.45 g/mol
Exact Mass423.15
IUPAC Name5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C25H18FN5O/c26-20-11-5-4-10-19(20)22-13-23(25(32)28-16-17-7-6-12-27-15-17)31-24(29-22)14-21(30-31)18-8-2-1-3-9-18/h1-15H,16H2,(H,28,32)
InChIKeyDNXUZKLHQHVLNC-UHFFFAOYSA-N
XLogP4.53
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080130
7-methyl-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877265
2,5-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079173
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
2-(4-chlorophenyl)-5-(2-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877638
5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877589
7-(methoxymethyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3903244
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080104
1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42755274
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877611
2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170554

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46080172) is 5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is O=C(NCc1cccnc1)c1cc(-c2ccccc2F)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of 5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is DNXUZKLHQHVLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O/c26-20-11-5-4-10-19(20)22-13-23(25(32)28-16-17-7-6-12-27-15-17)31-24(29-22)14-21(30-31)18-8-2-1-3-9-18/h1-15H,16H2,(H,28,32).
What are the key properties of 5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46080172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).