N-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H18F6N6O3S — CID 11541828

IUPACN-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccccn2)c1)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C27H18F6N6O3S/c28-26(29,30)17-9-7-16(8-10-17)22-13-23(27(31,32)33)39-24(38-22)21(15-35-39)25(40)37-18-5-3-6-20(12-18)43(41,42)36-14-19-4-1-2-11-34-19/h1-13,15,36H,14H2,(H,37,40)
InChIKeyRJFBYYDJPVCPEB-UHFFFAOYSA-N
MW620.54 g/mol
LogP5.56
Rot. Bonds7

About N-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 11541828) has the molecular formula C27H18F6N6O3S and a molecular weight of 620.54 g/mol. Its IUPAC name is N-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID11541828
Molecular FormulaC27H18F6N6O3S
Molecular Weight620.54 g/mol
Exact Mass620.11
IUPAC NameN-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccccn2)c1)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C27H18F6N6O3S/c28-26(29,30)17-9-7-16(8-10-17)22-13-23(27(31,32)33)39-24(38-22)21(15-35-39)25(40)37-18-5-3-6-20(12-18)43(41,42)36-14-19-4-1-2-11-34-19/h1-13,15,36H,14H2,(H,37,40)
InChIKeyRJFBYYDJPVCPEB-UHFFFAOYSA-N
XLogP5.56
TPSA118.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.54
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US10774086, Example 5
CID 134551847
7-(Difluoromethyl)-5-(4-methylphenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 1094006
7-(difluoromethyl)-N-[4-(methylsulfamoyl)phenyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2945206
2,6-difluoro-N-[3-[3-[2-(3-sulfamoylanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529208
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CID 66554752
N-[3-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554923
N-[1-(4-cyclopropyl-2-fluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68327866
N-[1-(4-methylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328146
N-[1-(2-fluoro-4-methylphenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328492
7-(difluoromethyl)-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2168928
7-(difluoromethyl)-N-(1,3-dimethyl-1H-pyrazol-4-yl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1094032
7-(difluoromethyl)-N-(3-ethylphenyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995507

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 11541828) is N-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)NCc2ccccn2)c1)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of N-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RJFBYYDJPVCPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F6N6O3S/c28-26(29,30)17-9-7-16(8-10-17)22-13-23(27(31,32)33)39-24(38-22)21(15-35-39)25(40)37-18-5-3-6-20(12-18)43(41,42)36-14-19-4-1-2-11-34-19/h1-13,15,36H,14H2,(H,37,40).
What are the key properties of N-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 620.54 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyridin-2-ylmethylsulfamoyl)phenyl]-7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 11541828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).