5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide

C26H31N5O3S — CID 178179256

IUPAC5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2ccn3nc(Nc4ccccc4)c(C(C)C)c3n2)ccc1OC
InChIInChI=1S/C26H31N5O3S/c1-6-30(7-2)35(32,33)23-17-19(13-14-22(23)34-5)21-15-16-31-26(28-21)24(18(3)4)25(29-31)27-20-11-9-8-10-12-20/h8-18H,6-7H2,1-5H3,(H,27,29)
InChIKeyOFFYKQCUKZTTNL-UHFFFAOYSA-N
MW493.63 g/mol
LogP5.30
Rot. Bonds9

About 5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide

5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide (PubChem CID 178179256) has the molecular formula C26H31N5O3S and a molecular weight of 493.63 g/mol. Its IUPAC name is 5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
PubChem CID178179256
Molecular FormulaC26H31N5O3S
Molecular Weight493.63 g/mol
Exact Mass493.21
IUPAC Name5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cc(-c2ccn3nc(Nc4ccccc4)c(C(C)C)c3n2)ccc1OC
InChIInChI=1S/C26H31N5O3S/c1-6-30(7-2)35(32,33)23-17-19(13-14-22(23)34-5)21-15-16-31-26(28-21)24(18(3)4)25(29-31)27-20-11-9-8-10-12-20/h8-18H,6-7H2,1-5H3,(H,27,29)
InChIKeyOFFYKQCUKZTTNL-UHFFFAOYSA-N
XLogP5.30
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.63
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
CID 178179234
5-(2-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 178179248
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-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134795
3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(2,6-dimethylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134792
N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
CID 113241834
5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
N-benzyl-2-methoxy-N-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036299
(3S)-7-[3-(diethylsulfamoyl)-4-methoxyphenyl]-3-methyl-4-(3-methylbutanoyl)-2,3-dihydroquinoxaline-1-carboxylic acid
CID 146313027
[2-(4-methylanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 41072245
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 53036322
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417

Frequently Asked Questions

What is the IUPAC name of 5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide (CID 178179256) is 5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide is CCN(CC)S(=O)(=O)c1cc(-c2ccn3nc(Nc4ccccc4)c(C(C)C)c3n2)ccc1OC.
What is the InChIKey of 5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide?
The InChIKey is OFFYKQCUKZTTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S/c1-6-30(7-2)35(32,33)23-17-19(13-14-22(23)34-5)21-15-16-31-26(28-21)24(18(3)4)25(29-31)27-20-11-9-8-10-12-20/h8-18H,6-7H2,1-5H3,(H,27,29).
What are the key properties of 5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide?
5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide has a molecular weight of 493.63 g/mol, XLogP of 5.30, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-anilino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-diethyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 178179256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).