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

C18H21N5O3S — CID 38714189

IUPAC3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1
InChIInChI=1S/C18H21N5O3S/c1-4-21-27(25,26)16-7-5-6-13(9-16)18(24)22-15-8-14-10-20-23(12(2)3)17(14)19-11-15/h5-12,21H,4H2,1-3H3,(H,22,24)
InChIKeyPNCVZBMUIBZDLH-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.56
Rot. Bonds6

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

3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide (PubChem CID 38714189) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
PubChem CID38714189
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1
InChIInChI=1S/C18H21N5O3S/c1-4-21-27(25,26)16-7-5-6-13(9-16)18(24)22-15-8-14-10-20-23(12(2)3)17(14)19-11-15/h5-12,21H,4H2,1-3H3,(H,22,24)
InChIKeyPNCVZBMUIBZDLH-UHFFFAOYSA-N
XLogP2.56
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(diethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 27693406
3-(benzenesulfonamido)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956441
3-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55896598
N-[3-(diethylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 33225377
3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 18291315
3-(ethylsulfamoyl)-N-(1-phenylpyrazol-4-yl)benzamide
CID 86848842
2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956314
3-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
CID 27365149
3-(ethylsulfamoyl)-N-(3-iodophenyl)benzamide
CID 31528390
2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 51080497
3,4-dichloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzenesulfonamide
CID 39344423
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
CID 27693401

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide (CID 38714189) is 3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide is CCNS(=O)(=O)c1cccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The InChIKey is PNCVZBMUIBZDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-4-21-27(25,26)16-7-5-6-13(9-16)18(24)22-15-8-14-10-20-23(12(2)3)17(14)19-11-15/h5-12,21H,4H2,1-3H3,(H,22,24).
What are the key properties of 3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide has a molecular weight of 387.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 38714189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).