7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H23F2N5O3S — CID 995523

IUPAC7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)Nc5ccccc5C)cc4)c3n2)cc1
InChIInChI=1S/C28H23F2N5O3S/c1-17-7-9-19(10-8-17)24-15-25(26(29)30)35-27(33-24)22(16-31-35)28(36)32-20-11-13-21(14-12-20)39(37,38)34-23-6-4-3-5-18(23)2/h3-16,26,34H,1-2H3,(H,32,36)
InChIKeyOLIDONCIYYDAOQ-UHFFFAOYSA-N
MW547.59 g/mol
LogP6.00
Rot. Bonds7

About 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 995523) has the molecular formula C28H23F2N5O3S and a molecular weight of 547.59 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID995523
Molecular FormulaC28H23F2N5O3S
Molecular Weight547.59 g/mol
Exact Mass547.15
IUPAC Name7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)Nc5ccccc5C)cc4)c3n2)cc1
InChIInChI=1S/C28H23F2N5O3S/c1-17-7-9-19(10-8-17)24-15-25(26(29)30)35-27(33-24)22(16-31-35)28(36)32-20-11-13-21(14-12-20)39(37,38)34-23-6-4-3-5-18(23)2/h3-16,26,34H,1-2H3,(H,32,36)
InChIKeyOLIDONCIYYDAOQ-UHFFFAOYSA-N
XLogP6.00
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.59
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 995523) is 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(S(=O)(=O)Nc5ccccc5C)cc4)c3n2)cc1.
What is the InChIKey of 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OLIDONCIYYDAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N5O3S/c1-17-7-9-19(10-8-17)24-15-25(26(29)30)35-27(33-24)22(16-31-35)28(36)32-20-11-13-21(14-12-20)39(37,38)34-23-6-4-3-5-18(23)2/h3-16,26,34H,1-2H3,(H,32,36).
What are the key properties of 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 547.59 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 995523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).