3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide

C20H25N5O3S — CID 27693406

IUPAC3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1
InChIInChI=1S/C20H25N5O3S/c1-5-24(6-2)29(27,28)18-9-7-8-15(11-18)20(26)23-17-10-16-12-22-25(14(3)4)19(16)21-13-17/h7-14H,5-6H2,1-4H3,(H,23,26)
InChIKeyUXMIAJKFQCRJMO-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.30
Rot. Bonds7

About 3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide

3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide (PubChem CID 27693406) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
PubChem CID27693406
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1
InChIInChI=1S/C20H25N5O3S/c1-5-24(6-2)29(27,28)18-9-7-8-15(11-18)20(26)23-17-10-16-12-22-25(14(3)4)19(16)21-13-17/h7-14H,5-6H2,1-4H3,(H,23,26)
InChIKeyUXMIAJKFQCRJMO-UHFFFAOYSA-N
XLogP3.30
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 38714189
3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956441
N-[3-(dimethylsulfamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 42158243
N-[3-(diethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 33225377
3-(diethylsulfamoyl)-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30183038
2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 46404473
3-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896598
3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 18291315
2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956314
3-(diethylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 2684396
3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2122297
2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 51080497

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide (CID 27693406) is 3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1.
What is the InChIKey of 3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The InChIKey is UXMIAJKFQCRJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-5-24(6-2)29(27,28)18-9-7-8-15(11-18)20(26)23-17-10-16-12-22-25(14(3)4)19(16)21-13-17/h7-14H,5-6H2,1-4H3,(H,23,26).
What are the key properties of 3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide has a molecular weight of 415.52 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 27693406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).