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

C28H23F2N5O4S — CID 995585

IUPAC7-(difluoromethyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cnn4c(C(F)F)cc(-c5ccc(C)cc5)nc34)cc2)cc1
InChIInChI=1S/C28H23F2N5O4S/c1-17-3-5-18(6-4-17)24-15-25(26(29)30)35-27(33-24)23(16-31-35)28(36)32-19-9-13-22(14-10-19)40(37,38)34-20-7-11-21(39-2)12-8-20/h3-16,26,34H,1-2H3,(H,32,36)
InChIKeyZXOMVXIQBFVQGS-UHFFFAOYSA-N
MW563.59 g/mol
LogP5.70
Rot. Bonds8

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

7-(difluoromethyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 995585) has the molecular formula C28H23F2N5O4S and a molecular weight of 563.59 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID995585
Molecular FormulaC28H23F2N5O4S
Molecular Weight563.59 g/mol
Exact Mass563.14
IUPAC Name7-(difluoromethyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cnn4c(C(F)F)cc(-c5ccc(C)cc5)nc34)cc2)cc1
InChIInChI=1S/C28H23F2N5O4S/c1-17-3-5-18(6-4-17)24-15-25(26(29)30)35-27(33-24)23(16-31-35)28(36)32-19-9-13-22(14-10-19)40(37,38)34-20-7-11-21(39-2)12-8-20/h3-16,26,34H,1-2H3,(H,32,36)
InChIKeyZXOMVXIQBFVQGS-UHFFFAOYSA-N
XLogP5.70
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.59
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 995585) is 7-(difluoromethyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cnn4c(C(F)F)cc(-c5ccc(C)cc5)nc34)cc2)cc1.
What is the InChIKey of 7-(difluoromethyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZXOMVXIQBFVQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N5O4S/c1-17-3-5-18(6-4-17)24-15-25(26(29)30)35-27(33-24)23(16-31-35)28(36)32-19-9-13-22(14-10-19)40(37,38)34-20-7-11-21(39-2)12-8-20/h3-16,26,34H,1-2H3,(H,32,36).
What are the key properties of 7-(difluoromethyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 563.59 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 995585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).