6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H26N6O4S — CID 55736302

IUPAC6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C
InChIInChI=1S/C21H26N6O4S/c1-12-6-7-15(32(30,31)26(4)5)10-18(12)25-19(28)9-8-16-13(2)24-21-17(20(22)29)11-23-27(21)14(16)3/h6-7,10-11H,8-9H2,1-5H3,(H2,22,29)(H,25,28)
InChIKeyDOWSHQKRPLAASY-UHFFFAOYSA-N
MW458.54 g/mol
LogP1.58
Rot. Bonds7

About 6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55736302) has the molecular formula C21H26N6O4S and a molecular weight of 458.54 g/mol. Its IUPAC name is 6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55736302
Molecular FormulaC21H26N6O4S
Molecular Weight458.54 g/mol
Exact Mass458.17
IUPAC Name6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C
InChIInChI=1S/C21H26N6O4S/c1-12-6-7-15(32(30,31)26(4)5)10-18(12)25-19(28)9-8-16-13(2)24-21-17(20(22)29)11-23-27(21)14(16)3/h6-7,10-11H,8-9H2,1-5H3,(H2,22,29)(H,25,28)
InChIKeyDOWSHQKRPLAASY-UHFFFAOYSA-N
XLogP1.58
TPSA139.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-(2,4-dibromoanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736270
6-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736269
6-[3-(3-cyanoanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736430
6-[3-[2-[di(propan-2-yl)amino]ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55736922
5,7-dimethyl-6-[3-[4-(3-methylbutanoylamino)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166434882
6-[3-[3-[[acetyl(methyl)amino]methyl]anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55852268
5,7-dimethyl-6-[3-[methyl(propan-2-yl)amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87024312
5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55872175
6-[3-(benzylamino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737265
6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55871172
6-[3-[5-chloro-2-(4-methylpiperazin-1-yl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55875856
6-[3-(3-chloro-2,6-diethylanilino)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55737444

Frequently Asked Questions

What is the IUPAC name of 6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55736302) is 6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C.
What is the InChIKey of 6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DOWSHQKRPLAASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4S/c1-12-6-7-15(32(30,31)26(4)5)10-18(12)25-19(28)9-8-16-13(2)24-21-17(20(22)29)11-23-27(21)14(16)3/h6-7,10-11H,8-9H2,1-5H3,(H2,22,29)(H,25,28).
What are the key properties of 6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[5-(dimethylsulfamoyl)-2-methylanilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55736302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).