3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide

C20H25N5O3S — CID 134024967

IUPAC3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cnc3c(c2)c(C)nn3C)ccc1C
InChIInChI=1S/C20H25N5O3S/c1-6-25(7-2)29(27,28)18-10-15(9-8-13(18)3)20(26)22-16-11-17-14(4)23-24(5)19(17)21-12-16/h8-12H,6-7H2,1-5H3,(H,22,26)
InChIKeyYNTYHROQNHMEIB-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.87
Rot. Bonds6

About 3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide

3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide (PubChem CID 134024967) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide
PubChem CID134024967
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cnc3c(c2)c(C)nn3C)ccc1C
InChIInChI=1S/C20H25N5O3S/c1-6-25(7-2)29(27,28)18-10-15(9-8-13(18)3)20(26)22-16-11-17-14(4)23-24(5)19(17)21-12-16/h8-12H,6-7H2,1-5H3,(H,22,26)
InChIKeyYNTYHROQNHMEIB-UHFFFAOYSA-N
XLogP2.87
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,4-dimethylbenzamide
CID 51334456
4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(dimethylsulfamoyl)benzamide
CID 55515651
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide
CID 31520473
4-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30830270
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-3-carboxamide
CID 31520445
methyl 2-[5-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55775470
3-cyano-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520219
N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 30898812
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506
4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 31520075

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide (CID 134024967) is 3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cnc3c(c2)c(C)nn3C)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide?
The InChIKey is YNTYHROQNHMEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-6-25(7-2)29(27,28)18-10-15(9-8-13(18)3)20(26)22-16-11-17-14(4)23-24(5)19(17)21-12-16/h8-12H,6-7H2,1-5H3,(H,22,26).
What are the key properties of 3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide?
3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide has a molecular weight of 415.52 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-methylbenzamide is sourced from PubChem (CID 134024967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).