3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

C17H18F2N6O4S — CID 56658297

IUPAC3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
InChIInChI=1S/C17H18F2N6O4S/c1-4-25(2)30(27,28)24-12-6-5-11(18)13(14(12)19)16(26)21-9-7-10-15(20-8-9)22-23-17(10)29-3/h5-8,24H,4H2,1-3H3,(H,21,26)(H,20,22,23)
InChIKeyYHYVLDHYKISRAD-UHFFFAOYSA-N
MW440.43 g/mol
LogP2.11
Rot. Bonds7

About 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 56658297) has the molecular formula C17H18F2N6O4S and a molecular weight of 440.43 g/mol. Its IUPAC name is 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID56658297
Molecular FormulaC17H18F2N6O4S
Molecular Weight440.43 g/mol
Exact Mass440.11
IUPAC Name3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F
InChIInChI=1S/C17H18F2N6O4S/c1-4-25(2)30(27,28)24-12-6-5-11(18)13(14(12)19)16(26)21-9-7-10-15(20-8-9)22-23-17(10)29-3/h5-8,24H,4H2,1-3H3,(H,21,26)(H,20,22,23)
InChIKeyYHYVLDHYKISRAD-UHFFFAOYSA-N
XLogP2.11
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 56678899
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CID 66563698
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CID 71460336
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CID 44223468

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 56658297) is 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F.
What is the InChIKey of 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is YHYVLDHYKISRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N6O4S/c1-4-25(2)30(27,28)24-12-6-5-11(18)13(14(12)19)16(26)21-9-7-10-15(20-8-9)22-23-17(10)29-3/h5-8,24H,4H2,1-3H3,(H,21,26)(H,20,22,23).
What are the key properties of 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 440.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(methyl)sulfamoyl]amino]-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 56658297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).