3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C26H28FN5O4S — CID 53134795

IUPAC3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2c(C(=O)Nc3ccccc3F)nn3c(C)cc(C)nc23)ccc1OC
InChIInChI=1S/C26H28FN5O4S/c1-6-31(7-2)37(34,35)22-15-18(12-13-21(22)36-5)23-24(26(33)29-20-11-9-8-10-19(20)27)30-32-17(4)14-16(3)28-25(23)32/h8-15H,6-7H2,1-5H3,(H,29,33)
InChIKeyHXAZGINBPBTQLV-UHFFFAOYSA-N
MW525.61 g/mol
LogP4.44
Rot. Bonds8

About 3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 53134795) has the molecular formula C26H28FN5O4S and a molecular weight of 525.61 g/mol. Its IUPAC name is 3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID53134795
Molecular FormulaC26H28FN5O4S
Molecular Weight525.61 g/mol
Exact Mass525.18
IUPAC Name3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2c(C(=O)Nc3ccccc3F)nn3c(C)cc(C)nc23)ccc1OC
InChIInChI=1S/C26H28FN5O4S/c1-6-31(7-2)37(34,35)22-15-18(12-13-21(22)36-5)23-24(26(33)29-20-11-9-8-10-19(20)27)30-32-17(4)14-16(3)28-25(23)32/h8-15H,6-7H2,1-5H3,(H,29,33)
InChIKeyHXAZGINBPBTQLV-UHFFFAOYSA-N
XLogP4.44
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.61
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134796
3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2,6-dimethylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134792
N-cyclopentyl-3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134790
N-(2-methoxyphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134649
3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134650
N-(3-ethylphenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134684
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide
CID 2678829
N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 26880143
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55550889
2-(3,4-dimethoxyphenyl)-N-[3-(3-fluoro-4-methylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 68752643
N-(3-ethylphenyl)-5,7-dimethyl-3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134745

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 53134795) is 3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(-c2c(C(=O)Nc3ccccc3F)nn3c(C)cc(C)nc23)ccc1OC.
What is the InChIKey of 3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HXAZGINBPBTQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O4S/c1-6-31(7-2)37(34,35)22-15-18(12-13-21(22)36-5)23-24(26(33)29-20-11-9-8-10-19(20)27)30-32-17(4)14-16(3)28-25(23)32/h8-15H,6-7H2,1-5H3,(H,29,33).
What are the key properties of 3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 525.61 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 53134795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).